(2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine

C18H33N — CID 88928165

IUPAC(2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine
SMILESC=C(CCC)N(C/C=C(/C)CCC=C(C)C)C(C)C
InChIInChI=1S/C18H33N/c1-8-10-18(7)19(16(4)5)14-13-17(6)12-9-11-15(2)3/h11,13,16H,7-10,12,14H2,1-6H3/b17-13-
InChIKeyRISYUQRXLYQEOM-LGMDPLHJSA-N
MW263.47 g/mol
LogP5.70
Rot. Bonds9

About (2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine

(2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine (PubChem CID 88928165) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is (2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine
PubChem CID88928165
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name(2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine
SMILESC=C(CCC)N(C/C=C(/C)CCC=C(C)C)C(C)C
InChIInChI=1S/C18H33N/c1-8-10-18(7)19(16(4)5)14-13-17(6)12-9-11-15(2)3/h11,13,16H,7-10,12,14H2,1-6H3/b17-13-
InChIKeyRISYUQRXLYQEOM-LGMDPLHJSA-N
XLogP5.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.70
H-Bond Donors ≤ 50
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-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine?
The IUPAC name of (2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine (CID 88928165) is (2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine.
What is the SMILES notation for (2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine?
The canonical SMILES for (2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine is C=C(CCC)N(C/C=C(/C)CCC=C(C)C)C(C)C.
What is the InChIKey of (2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine?
The InChIKey is RISYUQRXLYQEOM-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H33N/c1-8-10-18(7)19(16(4)5)14-13-17(6)12-9-11-15(2)3/h11,13,16H,7-10,12,14H2,1-6H3/b17-13-.
What are the key properties of (2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine?
(2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine has a molecular weight of 263.47 g/mol, XLogP of 5.70, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine is sourced from PubChem (CID 88928165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).