(3S)-3,7-diaminoheptanamide

C7H17N3O — CID 165481888

IUPAC(3S)-3,7-diaminoheptanamide
SMILESNCCCC[C@H](N)CC(N)=O
InChIInChI=1S/C7H17N3O/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H2,10,11)/t6-/m0/s1
InChIKeyJNQDJLXPWSEYLA-LURJTMIESA-N
MW159.23 g/mol
LogP-0.68
Rot. Bonds6

About (3S)-3,7-diaminoheptanamide

(3S)-3,7-diaminoheptanamide (PubChem CID 165481888) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is (3S)-3,7-diaminoheptanamide.

Molecular Properties

Compound Name(3S)-3,7-diaminoheptanamide
PubChem CID165481888
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name(3S)-3,7-diaminoheptanamide
SMILESNCCCC[C@H](N)CC(N)=O
InChIInChI=1S/C7H17N3O/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H2,10,11)/t6-/m0/s1
InChIKeyJNQDJLXPWSEYLA-LURJTMIESA-N
XLogP-0.68
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,7-diaminoheptanoic acid
CID 4695301
(3R)-3,7-diaminoheptanoic acid;dihydrochloride
CID 121234002
3-aminoundecanamide
CID 154005326
8-amino-3-hydroxyoctanamide
CID 22149893
8-amino-3-hydroxyoctanamide;hydrochloride
CID 22149892
(3S)-7-amino-3-hydroxyheptanamide
CID 15916893
(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid
CID 87126167
pentacosane-1,13,25-triamine
CID 174653759
3-amino-5-hydroxypentanamide
CID 154064496
3,4-diaminobutanamide
CID 66426891
octane-1,4,8-triamine
CID 18544198
3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium
CID 175333874

Frequently Asked Questions

What is the IUPAC name of (3S)-3,7-diaminoheptanamide?
The IUPAC name of (3S)-3,7-diaminoheptanamide (CID 165481888) is (3S)-3,7-diaminoheptanamide.
What is the SMILES notation for (3S)-3,7-diaminoheptanamide?
The canonical SMILES for (3S)-3,7-diaminoheptanamide is NCCCC[C@H](N)CC(N)=O.
What is the InChIKey of (3S)-3,7-diaminoheptanamide?
The InChIKey is JNQDJLXPWSEYLA-LURJTMIESA-N. The full InChI is InChI=1S/C7H17N3O/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H2,10,11)/t6-/m0/s1.
What are the key properties of (3S)-3,7-diaminoheptanamide?
(3S)-3,7-diaminoheptanamide has a molecular weight of 159.23 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,7-diaminoheptanamide is sourced from PubChem (CID 165481888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).