2-iminononane-1,8-diamine

C9H21N3 — CID 157053854

IUPAC2-iminononane-1,8-diamine
SMILES[H]/N=C(\CN)CCCCCC(C)N
InChIInChI=1S/C9H21N3/c1-8(11)5-3-2-4-6-9(12)7-10/h8,12H,2-7,10-11H2,1H3/b12-9-
InChIKeyDWNDPKZIVXESHY-XFXZXTDPSA-N
MW171.29 g/mol
LogP1.26
Rot. Bonds7

About 2-iminononane-1,8-diamine

2-iminononane-1,8-diamine (PubChem CID 157053854) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-iminononane-1,8-diamine.

Molecular Properties

Compound Name2-iminononane-1,8-diamine
PubChem CID157053854
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-iminononane-1,8-diamine
SMILES[H]/N=C(\CN)CCCCCC(C)N
InChIInChI=1S/C9H21N3/c1-8(11)5-3-2-4-6-9(12)7-10/h8,12H,2-7,10-11H2,1H3/b12-9-
InChIKeyDWNDPKZIVXESHY-XFXZXTDPSA-N
XLogP1.26
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

docosane-2,21-diamine
CID 150079956
14-aminopentadecanoic acid
CID 87306551
10-aminoundecanoic acid
CID 3771397
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
3-imino-9-methyldecan-2-amine
CID 123211066
(6S)-6-aminoheptanoic acid
CID 54134193
(2S)-tridecan-2-amine
CID 24884182
(2S)-tetradecan-2-amine
CID 25021238
(2S)-nonadecan-2-amine
CID 94864909
pentadecane-2,6,10,14-tetramine
CID 164971565

Frequently Asked Questions

What is the IUPAC name of 2-iminononane-1,8-diamine?
The IUPAC name of 2-iminononane-1,8-diamine (CID 157053854) is 2-iminononane-1,8-diamine.
What is the SMILES notation for 2-iminononane-1,8-diamine?
The canonical SMILES for 2-iminononane-1,8-diamine is [H]/N=C(\CN)CCCCCC(C)N.
What is the InChIKey of 2-iminononane-1,8-diamine?
The InChIKey is DWNDPKZIVXESHY-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H21N3/c1-8(11)5-3-2-4-6-9(12)7-10/h8,12H,2-7,10-11H2,1H3/b12-9-.
What are the key properties of 2-iminononane-1,8-diamine?
2-iminononane-1,8-diamine has a molecular weight of 171.29 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminononane-1,8-diamine is sourced from PubChem (CID 157053854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).