2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane

C12H28N5O2P — CID 178063021

IUPAC2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane
SMILESCC(C)C.NC(N)=NCCCC(N)C(=O)NCC(=O)P
InChIInChI=1S/C8H18N5O2P.C4H10/c9-5(2-1-3-12-8(10)11)7(15)13-4-6(14)16;1-4(2)3/h5H,1-4,9,16H2,(H,13,15)(H4,10,11,12);4H,1-3H3
InChIKeyFHQFDZFSAIMWBC-UHFFFAOYSA-N
MW305.36 g/mol
LogP-0.45
Rot. Bonds7

About 2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane

2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane (PubChem CID 178063021) has the molecular formula C12H28N5O2P and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane
PubChem CID178063021
Molecular FormulaC12H28N5O2P
Molecular Weight305.36 g/mol
Exact Mass305.20
IUPAC Name2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane
SMILESCC(C)C.NC(N)=NCCCC(N)C(=O)NCC(=O)P
InChIInChI=1S/C8H18N5O2P.C4H10/c9-5(2-1-3-12-8(10)11)7(15)13-4-6(14)16;1-4(2)3/h5H,1-4,9,16H2,(H,13,15)(H4,10,11,12);4H,1-3H3
InChIKeyFHQFDZFSAIMWBC-UHFFFAOYSA-N
XLogP-0.45
TPSA136.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride
CID 133113849
2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride
CID 90457141
(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 101098394
(2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid
CID 87289489
acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
CID 54604077
(2S)-2-amino-N-[4-(3-aminopropylamino)butyl]-5-(diaminomethylideneamino)pentanamide
CID 10881162
2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide
CID 155310394
(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
CID 141439784
[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]urea
CID 54323460
6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-N-(3-methyl-2-oxobutyl)hexanamide
CID 170721451
2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]acetic acid
CID 18218795

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane (CID 178063021) is 2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane is CC(C)C.NC(N)=NCCCC(N)C(=O)NCC(=O)P.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane?
The InChIKey is FHQFDZFSAIMWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N5O2P.C4H10/c9-5(2-1-3-12-8(10)11)7(15)13-4-6(14)16;1-4(2)3/h5H,1-4,9,16H2,(H,13,15)(H4,10,11,12);4H,1-3H3.
What are the key properties of 2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane?
2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane has a molecular weight of 305.36 g/mol, XLogP of -0.45, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane is sourced from PubChem (CID 178063021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).