N-oct-2-ynylnona-1,8-dien-5-amine

C17H29N — CID 11402374

IUPACN-oct-2-ynylnona-1,8-dien-5-amine
SMILESC=CCCC(CCC=C)NCC#CCCCCC
InChIInChI=1S/C17H29N/c1-4-7-10-11-12-13-16-18-17(14-8-5-2)15-9-6-3/h5-6,17-18H,2-4,7-11,14-16H2,1H3
InChIKeySGZWKFQJTJAQQA-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.46
Rot. Bonds11

About N-oct-2-ynylnona-1,8-dien-5-amine

N-oct-2-ynylnona-1,8-dien-5-amine (PubChem CID 11402374) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-oct-2-ynylnona-1,8-dien-5-amine.

Molecular Properties

Compound NameN-oct-2-ynylnona-1,8-dien-5-amine
PubChem CID11402374
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-oct-2-ynylnona-1,8-dien-5-amine
SMILESC=CCCC(CCC=C)NCC#CCCCCC
InChIInChI=1S/C17H29N/c1-4-7-10-11-12-13-16-18-17(14-8-5-2)15-9-6-3/h5-6,17-18H,2-4,7-11,14-16H2,1H3
InChIKeySGZWKFQJTJAQQA-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyltridec-1-en-5-amine
CID 104987742
N-propylundec-1-en-5-amine
CID 104987530
N-prop-2-enylundecan-6-amine
CID 43755395
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
henicos-8-yne
CID 22224321
7-pentyltridec-1-ene
CID 123620244
(5R,6S)-dec-1-ene-5,6-diol
CID 10511398
12-pentyltricosa-1,22-diene
CID 102409743
(5R,6R)-dec-1-ene-5,6-diol
CID 10844929
26-heptadecylnonapentacont-1-ene
CID 123445046
1-ethoxy-N-propyloct-7-en-4-amine
CID 105153556

Frequently Asked Questions

What is the IUPAC name of N-oct-2-ynylnona-1,8-dien-5-amine?
The IUPAC name of N-oct-2-ynylnona-1,8-dien-5-amine (CID 11402374) is N-oct-2-ynylnona-1,8-dien-5-amine.
What is the SMILES notation for N-oct-2-ynylnona-1,8-dien-5-amine?
The canonical SMILES for N-oct-2-ynylnona-1,8-dien-5-amine is C=CCCC(CCC=C)NCC#CCCCCC.
What is the InChIKey of N-oct-2-ynylnona-1,8-dien-5-amine?
The InChIKey is SGZWKFQJTJAQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-7-10-11-12-13-16-18-17(14-8-5-2)15-9-6-3/h5-6,17-18H,2-4,7-11,14-16H2,1H3.
What are the key properties of N-oct-2-ynylnona-1,8-dien-5-amine?
N-oct-2-ynylnona-1,8-dien-5-amine has a molecular weight of 247.43 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-oct-2-ynylnona-1,8-dien-5-amine is sourced from PubChem (CID 11402374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).