2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride

C10H22ClN5O — CID 90457141

IUPAC2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride
SMILESC=C(C)CNC(=O)C(N)CCCN=C(N)N.[Cl-].[H+]
InChIInChI=1S/C10H21N5O.ClH/c1-7(2)6-15-9(16)8(11)4-3-5-14-10(12)13;/h8H,1,3-6,11H2,2H3,(H,15,16)(H4,12,13,14);1H
InChIKeyLXPGWCDTWQRAAJ-UHFFFAOYSA-N
MW263.77 g/mol
LogP-3.82
Rot. Bonds7

About 2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride

2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride (PubChem CID 90457141) has the molecular formula C10H22ClN5O and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride
PubChem CID90457141
Molecular FormulaC10H22ClN5O
Molecular Weight263.77 g/mol
Exact Mass263.15
IUPAC Name2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride
SMILESC=C(C)CNC(=O)C(N)CCCN=C(N)N.[Cl-].[H+]
InChIInChI=1S/C10H21N5O.ClH/c1-7(2)6-15-9(16)8(11)4-3-5-14-10(12)13;/h8H,1,3-6,11H2,2H3,(H,15,16)(H4,12,13,14);1H
InChIKeyLXPGWCDTWQRAAJ-UHFFFAOYSA-N
XLogP-3.82
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 5-3.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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': 'isolated_alkene', '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-oxo-2-phosphanylethyl)pentanamide;2-methylpropane
CID 178063021
acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
CID 54604077
(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
(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide
CID 107570801
2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid
CID 178159241
(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
CID 141439784
[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]urea
CID 54323460
(2S)-2-amino-N-[4-(3-aminopropylamino)butyl]-5-(diaminomethylideneamino)pentanamide
CID 10881162
2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide
CID 155310394

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride (CID 90457141) is 2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride is C=C(C)CNC(=O)C(N)CCCN=C(N)N.[Cl-].[H+].
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride?
The InChIKey is LXPGWCDTWQRAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O.ClH/c1-7(2)6-15-9(16)8(11)4-3-5-14-10(12)13;/h8H,1,3-6,11H2,2H3,(H,15,16)(H4,12,13,14);1H.
What are the key properties of 2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride?
2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride has a molecular weight of 263.77 g/mol, XLogP of -3.82, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride is sourced from PubChem (CID 90457141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).