(4S)-4-(aminomethyl)octane-1,8-diamine

C9H23N3 — CID 86309254

IUPAC(4S)-4-(aminomethyl)octane-1,8-diamine
SMILESNCCCC[C@H](CN)CCCN
InChIInChI=1S/C9H23N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-8,10-12H2/t9-/m0/s1
InChIKeyHMJBXEZHJUYJQY-VIFPVBQESA-N
MW173.30 g/mol
LogP0.43
Rot. Bonds8

About (4S)-4-(aminomethyl)octane-1,8-diamine

(4S)-4-(aminomethyl)octane-1,8-diamine (PubChem CID 86309254) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is (4S)-4-(aminomethyl)octane-1,8-diamine.

Molecular Properties

Compound Name(4S)-4-(aminomethyl)octane-1,8-diamine
PubChem CID86309254
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name(4S)-4-(aminomethyl)octane-1,8-diamine
SMILESNCCCC[C@H](CN)CCCN
InChIInChI=1S/C9H23N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-8,10-12H2/t9-/m0/s1
InChIKeyHMJBXEZHJUYJQY-VIFPVBQESA-N
XLogP0.43
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.43
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

2-ethylundecane-1,11-diamine
CID 118354607
2-prop-2-enylhexane-1,6-diamine
CID 89126683
5-(aminomethyl)dec-8-ene-1,8-diamine
CID 141242019
octane-1,4,8-triamine
CID 18544198
2-hexyloctadecan-1-amine
CID 87546751
(2S)-2-hexyldecan-1-amine
CID 129368307
12-ethyltetradecan-1-amine
CID 87456130
2-dodecylhexadecan-1-amine
CID 23048605
4-heptylundecan-1-amine
CID 146490531
5-hexyldodecan-1-amine
CID 129015386
4-hexylundecan-1-amine
CID 167174040
2-propylheptan-1-amine
CID 21267775

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(aminomethyl)octane-1,8-diamine?
The IUPAC name of (4S)-4-(aminomethyl)octane-1,8-diamine (CID 86309254) is (4S)-4-(aminomethyl)octane-1,8-diamine.
What is the SMILES notation for (4S)-4-(aminomethyl)octane-1,8-diamine?
The canonical SMILES for (4S)-4-(aminomethyl)octane-1,8-diamine is NCCCC[C@H](CN)CCCN.
What is the InChIKey of (4S)-4-(aminomethyl)octane-1,8-diamine?
The InChIKey is HMJBXEZHJUYJQY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H23N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-8,10-12H2/t9-/m0/s1.
What are the key properties of (4S)-4-(aminomethyl)octane-1,8-diamine?
(4S)-4-(aminomethyl)octane-1,8-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(aminomethyl)octane-1,8-diamine is sourced from PubChem (CID 86309254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).