N-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine

C18H33N — CID 91138025

IUPACN-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine
SMILESC=C(CCC(=C(C)C)N(C)CC)C1CC1(C)CCC
InChIInChI=1S/C18H33N/c1-8-12-18(6)13-16(18)15(5)10-11-17(14(3)4)19(7)9-2/h16H,5,8-13H2,1-4,6-7H3
InChIKeyMMZHRLXSKBXVFZ-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.39
Rot. Bonds8

About N-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine

N-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine (PubChem CID 91138025) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine.

Molecular Properties

Compound NameN-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine
PubChem CID91138025
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine
SMILESC=C(CCC(=C(C)C)N(C)CC)C1CC1(C)CCC
InChIInChI=1S/C18H33N/c1-8-12-18(6)13-16(18)15(5)10-11-17(14(3)4)19(7)9-2/h16H,5,8-13H2,1-4,6-7H3
InChIKeyMMZHRLXSKBXVFZ-UHFFFAOYSA-N
XLogP5.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.39
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 N-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine?
The IUPAC name of N-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine (CID 91138025) is N-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine.
What is the SMILES notation for N-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine?
The canonical SMILES for N-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine is C=C(CCC(=C(C)C)N(C)CC)C1CC1(C)CCC.
What is the InChIKey of N-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine?
The InChIKey is MMZHRLXSKBXVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-8-12-18(6)13-16(18)15(5)10-11-17(14(3)4)19(7)9-2/h16H,5,8-13H2,1-4,6-7H3.
What are the key properties of N-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine?
N-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine has a molecular weight of 263.47 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethyl-6-(2-methyl-2-propylcyclopropyl)hepta-2,6-dien-3-amine is sourced from PubChem (CID 91138025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).