1-N-propylnonane-1,8-diamine

C12H28N2 — CID 87246434

IUPAC1-N-propylnonane-1,8-diamine
SMILESCCCNCCCCCCCC(C)N
InChIInChI=1S/C12H28N2/c1-3-10-14-11-8-6-4-5-7-9-12(2)13/h12,14H,3-11,13H2,1-2H3
InChIKeyOAPNAEQSTGDLGN-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.67
Rot. Bonds10

About 1-N-propylnonane-1,8-diamine

1-N-propylnonane-1,8-diamine (PubChem CID 87246434) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N-propylnonane-1,8-diamine.

Molecular Properties

Compound Name1-N-propylnonane-1,8-diamine
PubChem CID87246434
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N-propylnonane-1,8-diamine
SMILESCCCNCCCCCCCC(C)N
InChIInChI=1S/C12H28N2/c1-3-10-14-11-8-6-4-5-7-9-12(2)13/h12,14H,3-11,13H2,1-2H3
InChIKeyOAPNAEQSTGDLGN-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.67
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

ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
7-methyl-N-propyltridecan-1-amine
CID 123278261
(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
1-N-(4-aminobutyl)pentane-1,4-diamine
CID 91335741
5-methyl-N-propylnonan-1-amine
CID 123719528
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
docosane-2,21-diamine
CID 150079956
5-ethyl-N-propylnonan-1-amine
CID 64504205
tetradecan-2-amine;hydrobromide
CID 175070931

Frequently Asked Questions

What is the IUPAC name of 1-N-propylnonane-1,8-diamine?
The IUPAC name of 1-N-propylnonane-1,8-diamine (CID 87246434) is 1-N-propylnonane-1,8-diamine.
What is the SMILES notation for 1-N-propylnonane-1,8-diamine?
The canonical SMILES for 1-N-propylnonane-1,8-diamine is CCCNCCCCCCCC(C)N.
What is the InChIKey of 1-N-propylnonane-1,8-diamine?
The InChIKey is OAPNAEQSTGDLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-3-10-14-11-8-6-4-5-7-9-12(2)13/h12,14H,3-11,13H2,1-2H3.
What are the key properties of 1-N-propylnonane-1,8-diamine?
1-N-propylnonane-1,8-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propylnonane-1,8-diamine is sourced from PubChem (CID 87246434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).