(4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine

C20H33N — CID 174285177

IUPAC(4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine
SMILESC=C/C=C\C(C)(C)CCN(C)CC1=CCCC=CC1(C)C
InChIInChI=1S/C20H33N/c1-7-8-13-19(2,3)15-16-21(6)17-18-12-10-9-11-14-20(18,4)5/h7-8,11-14H,1,9-10,15-17H2,2-6H3/b13-8-
InChIKeyJRQGGRDCBDVZCE-JYRVWZFOSA-N
MW287.49 g/mol
LogP5.38
Rot. Bonds7

About (4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine

(4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine (PubChem CID 174285177) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is (4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine
PubChem CID174285177
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name(4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine
SMILESC=C/C=C\C(C)(C)CCN(C)CC1=CCCC=CC1(C)C
InChIInChI=1S/C20H33N/c1-7-8-13-19(2,3)15-16-21(6)17-18-12-10-9-11-14-20(18,4)5/h7-8,11-14H,1,9-10,15-17H2,2-6H3/b13-8-
InChIKeyJRQGGRDCBDVZCE-JYRVWZFOSA-N
XLogP5.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine?
The IUPAC name of (4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine (CID 174285177) is (4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine.
What is the SMILES notation for (4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine?
The canonical SMILES for (4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine is C=C/C=C\C(C)(C)CCN(C)CC1=CCCC=CC1(C)C.
What is the InChIKey of (4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine?
The InChIKey is JRQGGRDCBDVZCE-JYRVWZFOSA-N. The full InChI is InChI=1S/C20H33N/c1-7-8-13-19(2,3)15-16-21(6)17-18-12-10-9-11-14-20(18,4)5/h7-8,11-14H,1,9-10,15-17H2,2-6H3/b13-8-.
What are the key properties of (4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine?
(4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine is sourced from PubChem (CID 174285177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).