7-propylhenicos-4-en-1-amine

C24H49N — CID 57195043

IUPAC7-propylhenicos-4-en-1-amine
SMILESCCCCCCCCCCCCCCC(CC=CCCCN)CCC
InChIInChI=1S/C24H49N/c1-3-5-6-7-8-9-10-11-12-13-14-17-21-24(20-4-2)22-18-15-16-19-23-25/h15,18,24H,3-14,16-17,19-23,25H2,1-2H3
InChIKeyIXSQYYLQBCXWGM-UHFFFAOYSA-N
MW351.66 g/mol
LogP8.18
Rot. Bonds20

About 7-propylhenicos-4-en-1-amine

7-propylhenicos-4-en-1-amine (PubChem CID 57195043) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is 7-propylhenicos-4-en-1-amine.

Molecular Properties

Compound Name7-propylhenicos-4-en-1-amine
PubChem CID57195043
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC Name7-propylhenicos-4-en-1-amine
SMILESCCCCCCCCCCCCCCC(CC=CCCCN)CCC
InChIInChI=1S/C24H49N/c1-3-5-6-7-8-9-10-11-12-13-14-17-21-24(20-4-2)22-18-15-16-19-23-25/h15,18,24H,3-14,16-17,19-23,25H2,1-2H3
InChIKeyIXSQYYLQBCXWGM-UHFFFAOYSA-N
XLogP8.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 58.18
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'}

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Related Compounds

6-propylhexadec-8-ene
CID 174779500
(E)-12-propylhexacos-9-ene
CID 173194429
(E)-10-propyldocos-5-ene
CID 173194543
hexadec-4-en-1-amine
CID 123939288
13-propylhenicos-9-ene
CID 175294626
(Z)-5-ethylundec-7-en-1-amine
CID 167138520
19-propyltritriaconta-6,9,24-triene
CID 54372361
4-hexylundecan-1-amine
CID 167174040
(Z)-tetradec-7-en-1-amine
CID 10680019
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-triacont-9-en-1-amine
CID 139626552
(Z)-hexacos-9-en-1-amine
CID 139899136

Frequently Asked Questions

What is the IUPAC name of 7-propylhenicos-4-en-1-amine?
The IUPAC name of 7-propylhenicos-4-en-1-amine (CID 57195043) is 7-propylhenicos-4-en-1-amine.
What is the SMILES notation for 7-propylhenicos-4-en-1-amine?
The canonical SMILES for 7-propylhenicos-4-en-1-amine is CCCCCCCCCCCCCCC(CC=CCCCN)CCC.
What is the InChIKey of 7-propylhenicos-4-en-1-amine?
The InChIKey is IXSQYYLQBCXWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N/c1-3-5-6-7-8-9-10-11-12-13-14-17-21-24(20-4-2)22-18-15-16-19-23-25/h15,18,24H,3-14,16-17,19-23,25H2,1-2H3.
What are the key properties of 7-propylhenicos-4-en-1-amine?
7-propylhenicos-4-en-1-amine has a molecular weight of 351.66 g/mol, XLogP of 8.18, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propylhenicos-4-en-1-amine is sourced from PubChem (CID 57195043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).