(2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine

C15H27N — CID 88928089

IUPAC(2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine
SMILESC/C=C/C(C)NC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C15H27N/c1-6-8-15(5)16-12-11-14(4)10-7-9-13(2)3/h6,8-9,11,15-16H,7,10,12H2,1-5H3/b8-6+,14-11-
InChIKeyAWBTYUSRUBRCQK-SQKGQWCESA-N
MW221.39 g/mol
LogP4.23
Rot. Bonds7

About (2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine

(2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine (PubChem CID 88928089) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine.

Molecular Properties

Compound Name(2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine
PubChem CID88928089
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine
SMILESC/C=C/C(C)NC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C15H27N/c1-6-8-15(5)16-12-11-14(4)10-7-9-13(2)3/h6,8-9,11,15-16H,7,10,12H2,1-5H3/b8-6+,14-11-
InChIKeyAWBTYUSRUBRCQK-SQKGQWCESA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine?
The IUPAC name of (2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine (CID 88928089) is (2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine.
What is the SMILES notation for (2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine?
The canonical SMILES for (2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine is C/C=C/C(C)NC/C=C(/C)CCC=C(C)C.
What is the InChIKey of (2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine?
The InChIKey is AWBTYUSRUBRCQK-SQKGQWCESA-N. The full InChI is InChI=1S/C15H27N/c1-6-8-15(5)16-12-11-14(4)10-7-9-13(2)3/h6,8-9,11,15-16H,7,10,12H2,1-5H3/b8-6+,14-11-.
What are the key properties of (2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine?
(2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine has a molecular weight of 221.39 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine is sourced from PubChem (CID 88928089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).