N,2,6-trimethylhepta-1,6-dien-4-amine

C10H19N — CID 20708591

IUPACN,2,6-trimethylhepta-1,6-dien-4-amine
SMILESC=C(C)CC(CC(=C)C)NC
InChIInChI=1S/C10H19N/c1-8(2)6-10(11-5)7-9(3)4/h10-11H,1,3,6-7H2,2,4-5H3
InChIKeySUKZMMBDIWNOPC-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.51
Rot. Bonds5

About N,2,6-trimethylhepta-1,6-dien-4-amine

N,2,6-trimethylhepta-1,6-dien-4-amine (PubChem CID 20708591) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N,2,6-trimethylhepta-1,6-dien-4-amine.

Molecular Properties

Compound NameN,2,6-trimethylhepta-1,6-dien-4-amine
PubChem CID20708591
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN,2,6-trimethylhepta-1,6-dien-4-amine
SMILESC=C(C)CC(CC(=C)C)NC
InChIInChI=1S/C10H19N/c1-8(2)6-10(11-5)7-9(3)4/h10-11H,1,3,6-7H2,2,4-5H3
InChIKeySUKZMMBDIWNOPC-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.51
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 N,2,6-trimethylhepta-1,6-dien-4-amine?
The IUPAC name of N,2,6-trimethylhepta-1,6-dien-4-amine (CID 20708591) is N,2,6-trimethylhepta-1,6-dien-4-amine.
What is the SMILES notation for N,2,6-trimethylhepta-1,6-dien-4-amine?
The canonical SMILES for N,2,6-trimethylhepta-1,6-dien-4-amine is C=C(C)CC(CC(=C)C)NC.
What is the InChIKey of N,2,6-trimethylhepta-1,6-dien-4-amine?
The InChIKey is SUKZMMBDIWNOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)6-10(11-5)7-9(3)4/h10-11H,1,3,6-7H2,2,4-5H3.
What are the key properties of N,2,6-trimethylhepta-1,6-dien-4-amine?
N,2,6-trimethylhepta-1,6-dien-4-amine has a molecular weight of 153.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethylhepta-1,6-dien-4-amine is sourced from PubChem (CID 20708591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).