2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine

C17H35N — CID 159472819

IUPAC2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine
SMILESC=C(C)CC(C)CC(CC)CN(CCC)CCC
InChIInChI=1S/C17H35N/c1-7-10-18(11-8-2)14-17(9-3)13-16(6)12-15(4)5/h16-17H,4,7-14H2,1-3,5-6H3
InChIKeyMXKQNVXGKITCTO-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.13
Rot. Bonds11

About 2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine

2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine (PubChem CID 159472819) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine.

Molecular Properties

Compound Name2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine
PubChem CID159472819
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine
SMILESC=C(C)CC(C)CC(CC)CN(CCC)CCC
InChIInChI=1S/C17H35N/c1-7-10-18(11-8-2)14-17(9-3)13-16(6)12-15(4)5/h16-17H,4,7-14H2,1-3,5-6H3
InChIKeyMXKQNVXGKITCTO-UHFFFAOYSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.13
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 2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine?
The IUPAC name of 2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine (CID 159472819) is 2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine.
What is the SMILES notation for 2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine?
The canonical SMILES for 2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine is C=C(C)CC(C)CC(CC)CN(CCC)CCC.
What is the InChIKey of 2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine?
The InChIKey is MXKQNVXGKITCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-7-10-18(11-8-2)14-17(9-3)13-16(6)12-15(4)5/h16-17H,4,7-14H2,1-3,5-6H3.
What are the key properties of 2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine?
2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.13, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6-dimethyl-N,N-dipropylhept-6-en-1-amine is sourced from PubChem (CID 159472819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).