N-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine

C12H23N — CID 126704379

IUPACN-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine
SMILESC=C(CCC(C)(C)C)N(C)C1CC1
InChIInChI=1S/C12H23N/c1-10(8-9-12(2,3)4)13(5)11-6-7-11/h11H,1,6-9H2,2-5H3
InChIKeyNRHDNXCNZMIAGD-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.42
Rot. Bonds4

About N-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine

N-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine (PubChem CID 126704379) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine
PubChem CID126704379
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine
SMILESC=C(CCC(C)(C)C)N(C)C1CC1
InChIInChI=1S/C12H23N/c1-10(8-9-12(2,3)4)13(5)11-6-7-11/h11H,1,6-9H2,2-5H3
InChIKeyNRHDNXCNZMIAGD-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-cyclopropyl-N-(cyclopropylmethyl)-N-[(2,2-dimethylcyclopropyl)methyl]ethenamine
CID 68302160
N-(1-cyclopropylethenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine
CID 68302328
N-(1-cyclopropylethenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 68302453
1-cyclopropyl-N-[(2,2-dimethylcyclopropyl)methyl]-N-methylethenamine
CID 68302454
N,N-diethyl-4,4-dimethylpent-1-en-2-amine
CID 88911254
N-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine
CID 89078575
N-ethyl-N,5-dimethylhex-1-en-2-amine
CID 89100834
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CID 89707027

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine?
The IUPAC name of N-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine (CID 126704379) is N-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine.
What is the SMILES notation for N-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine?
The canonical SMILES for N-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine is C=C(CCC(C)(C)C)N(C)C1CC1.
What is the InChIKey of N-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine?
The InChIKey is NRHDNXCNZMIAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(8-9-12(2,3)4)13(5)11-6-7-11/h11H,1,6-9H2,2-5H3.
What are the key properties of N-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine?
N-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine has a molecular weight of 181.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhex-1-en-2-yl)-N-methylcyclopropanamine is sourced from PubChem (CID 126704379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).