(8S)-nonane-1,8-diamine

C9H22N2 — CID 87205838

IUPAC(8S)-nonane-1,8-diamine
SMILESC[C@H](N)CCCCCCCN
InChIInChI=1S/C9H22N2/c1-9(11)7-5-3-2-4-6-8-10/h9H,2-8,10-11H2,1H3/t9-/m0/s1
InChIKeyOFVXDJYBTSEQDW-VIFPVBQESA-N
MW158.29 g/mol
LogP1.63
Rot. Bonds7

About (8S)-nonane-1,8-diamine

(8S)-nonane-1,8-diamine (PubChem CID 87205838) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is (8S)-nonane-1,8-diamine.

Molecular Properties

Compound Name(8S)-nonane-1,8-diamine
PubChem CID87205838
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name(8S)-nonane-1,8-diamine
SMILESC[C@H](N)CCCCCCCN
InChIInChI=1S/C9H22N2/c1-9(11)7-5-3-2-4-6-8-10/h9H,2-8,10-11H2,1H3/t9-/m0/s1
InChIKeyOFVXDJYBTSEQDW-VIFPVBQESA-N
XLogP1.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
dodecan-1-amine;dodecan-2-amine
CID 88815564
docosane-2,21-diamine
CID 150079956
36-methylheptatriacontan-1-amine
CID 134324173
butylboronic acid;(6S)-heptane-1,6-diamine
CID 145219482
2-methyldecane-1,1,10-triamine
CID 175230718
pentacosane-1,13,25-triamine
CID 174653759
1-N-(4-aminobutyl)pentane-1,4-diamine
CID 91335741
(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909

Frequently Asked Questions

What is the IUPAC name of (8S)-nonane-1,8-diamine?
The IUPAC name of (8S)-nonane-1,8-diamine (CID 87205838) is (8S)-nonane-1,8-diamine.
What is the SMILES notation for (8S)-nonane-1,8-diamine?
The canonical SMILES for (8S)-nonane-1,8-diamine is C[C@H](N)CCCCCCCN.
What is the InChIKey of (8S)-nonane-1,8-diamine?
The InChIKey is OFVXDJYBTSEQDW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H22N2/c1-9(11)7-5-3-2-4-6-8-10/h9H,2-8,10-11H2,1H3/t9-/m0/s1.
What are the key properties of (8S)-nonane-1,8-diamine?
(8S)-nonane-1,8-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-nonane-1,8-diamine is sourced from PubChem (CID 87205838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).