2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide

C18H31N5O — CID 18473219

IUPAC2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C18H31N5O/c1-11(2)13-7-5-8-14(12(3)4)16(13)23-17(24)15(19)9-6-10-22-18(20)21/h5,7-8,11-12,15H,6,9-10,19H2,1-4H3,(H,23,24)(H4,20,21,22)
InChIKeyKIUYIEMIEYAYJB-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.25
Rot. Bonds8

About 2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide

2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide (PubChem CID 18473219) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide
PubChem CID18473219
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C18H31N5O/c1-11(2)13-7-5-8-14(12(3)4)16(13)23-17(24)15(19)9-6-10-22-18(20)21/h5,7-8,11-12,15H,6,9-10,19H2,1-4H3,(H,23,24)(H4,20,21,22)
InChIKeyKIUYIEMIEYAYJB-UHFFFAOYSA-N
XLogP2.25
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.25
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'}

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Related Compounds

2-amino-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide;hydron;chloride
CID 74765110
4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid
CID 64895201
(2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide
CID 139896055
[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]urea
CID 54323460
2-amino-N-(benzenesulfinyl)-5-(diaminomethylideneamino)pentanamide
CID 134416273
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide
CID 22811857
(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2R,3R)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide
CID 175262539
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 6427031
2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane
CID 178063021
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-4-phenylbutanoic acid
CID 138596629

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide (CID 18473219) is 2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide is CC(C)c1cccc(C(C)C)c1NC(=O)C(N)CCCN=C(N)N.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide?
The InChIKey is KIUYIEMIEYAYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-11(2)13-7-5-8-14(12(3)4)16(13)23-17(24)15(19)9-6-10-22-18(20)21/h5,7-8,11-12,15H,6,9-10,19H2,1-4H3,(H,23,24)(H4,20,21,22).
What are the key properties of 2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide?
2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide has a molecular weight of 333.48 g/mol, XLogP of 2.25, 8 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-[2,6-di(propan-2-yl)phenyl]pentanamide is sourced from PubChem (CID 18473219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).