1,2-diamino-4-(methylamino)pentan-3-one

C6H15N3O — CID 123312987

IUPAC1,2-diamino-4-(methylamino)pentan-3-one
SMILESCNC(C)C(=O)C(N)CN
InChIInChI=1S/C6H15N3O/c1-4(9-2)6(10)5(8)3-7/h4-5,9H,3,7-8H2,1-2H3
InChIKeyRXAIXURLYQNMAV-UHFFFAOYSA-N
MW145.21 g/mol
LogP-1.55
Rot. Bonds4

About 1,2-diamino-4-(methylamino)pentan-3-one

1,2-diamino-4-(methylamino)pentan-3-one (PubChem CID 123312987) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 1,2-diamino-4-(methylamino)pentan-3-one.

Molecular Properties

Compound Name1,2-diamino-4-(methylamino)pentan-3-one
PubChem CID123312987
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name1,2-diamino-4-(methylamino)pentan-3-one
SMILESCNC(C)C(=O)C(N)CN
InChIInChI=1S/C6H15N3O/c1-4(9-2)6(10)5(8)3-7/h4-5,9H,3,7-8H2,1-2H3
InChIKeyRXAIXURLYQNMAV-UHFFFAOYSA-N
XLogP-1.55
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(methylamino)hexan-3-one
CID 116564888
(2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
CID 11949297
2,3-diamino-N-propan-2-ylpropanamide
CID 166956225
(2R)-2-(methylamino)propanethioic S-acid
CID 141057590
(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride
CID 11949294
2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine;2-(2-amino-4-methyl-3-oxopentyl)guanidine;1,2-diamino-4-methylpentan-3-one;(2R)-1,2-diamino-4-methylpentan-3-one;(2S)-1,2-diamino-4-methylpentan-3-one
CID 161412599
2-(methylamino)propanamide;hydrochloride
CID 71433439
propan-2-yl 2,3-diaminopropanoate
CID 141295176
2,3-diaminopropanoic acid
CID 160927094
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
pentane-2,4-dione;propane-1,2-diamine
CID 88814334
(2S)-1,2-diaminopentan-3-one
CID 88560983

Frequently Asked Questions

What is the IUPAC name of 1,2-diamino-4-(methylamino)pentan-3-one?
The IUPAC name of 1,2-diamino-4-(methylamino)pentan-3-one (CID 123312987) is 1,2-diamino-4-(methylamino)pentan-3-one.
What is the SMILES notation for 1,2-diamino-4-(methylamino)pentan-3-one?
The canonical SMILES for 1,2-diamino-4-(methylamino)pentan-3-one is CNC(C)C(=O)C(N)CN.
What is the InChIKey of 1,2-diamino-4-(methylamino)pentan-3-one?
The InChIKey is RXAIXURLYQNMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-4(9-2)6(10)5(8)3-7/h4-5,9H,3,7-8H2,1-2H3.
What are the key properties of 1,2-diamino-4-(methylamino)pentan-3-one?
1,2-diamino-4-(methylamino)pentan-3-one has a molecular weight of 145.21 g/mol, XLogP of -1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diamino-4-(methylamino)pentan-3-one is sourced from PubChem (CID 123312987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).