N-(5,5-dimethylhex-3-enyl)cyclopropanamine

C11H21N — CID 79593002

IUPACN-(5,5-dimethylhex-3-enyl)cyclopropanamine
SMILESCC(C)(C)C=CCCNC1CC1
InChIInChI=1S/C11H21N/c1-11(2,3)8-4-5-9-12-10-6-7-10/h4,8,10,12H,5-7,9H2,1-3H3
InChIKeyAKAMZSBIROWDHA-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds4

About N-(5,5-dimethylhex-3-enyl)cyclopropanamine

N-(5,5-dimethylhex-3-enyl)cyclopropanamine (PubChem CID 79593002) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-(5,5-dimethylhex-3-enyl)cyclopropanamine.

Molecular Properties

Compound NameN-(5,5-dimethylhex-3-enyl)cyclopropanamine
PubChem CID79593002
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-(5,5-dimethylhex-3-enyl)cyclopropanamine
SMILESCC(C)(C)C=CCCNC1CC1
InChIInChI=1S/C11H21N/c1-11(2,3)8-4-5-9-12-10-6-7-10/h4,8,10,12H,5-7,9H2,1-3H3
InChIKeyAKAMZSBIROWDHA-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(7,7-dimethyloct-3-enyl)cyclopropanamine
CID 79591091
N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine
CID 79592331
N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine
CID 79591352
N-[(E)-4-(2-propoxyphenyl)but-3-enyl]cyclopropanamine
CID 104663313
N-[(E)-4-(2-ethylcyclohexyl)but-3-enyl]cyclopropanamine
CID 79593006
N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine
CID 79593449
(E)-2,2-dimethylhept-3-ene
CID 5352650
N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine
CID 79591341
N-[(E)-pent-3-enyl]oxepan-4-amine
CID 115890191
N'-tert-butyl-N-cyclopropyloctane-1,8-diamine
CID 66338082
N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine
CID 79590615
N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine
CID 79590346

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhex-3-enyl)cyclopropanamine?
The IUPAC name of N-(5,5-dimethylhex-3-enyl)cyclopropanamine (CID 79593002) is N-(5,5-dimethylhex-3-enyl)cyclopropanamine.
What is the SMILES notation for N-(5,5-dimethylhex-3-enyl)cyclopropanamine?
The canonical SMILES for N-(5,5-dimethylhex-3-enyl)cyclopropanamine is CC(C)(C)C=CCCNC1CC1.
What is the InChIKey of N-(5,5-dimethylhex-3-enyl)cyclopropanamine?
The InChIKey is AKAMZSBIROWDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-11(2,3)8-4-5-9-12-10-6-7-10/h4,8,10,12H,5-7,9H2,1-3H3.
What are the key properties of N-(5,5-dimethylhex-3-enyl)cyclopropanamine?
N-(5,5-dimethylhex-3-enyl)cyclopropanamine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhex-3-enyl)cyclopropanamine is sourced from PubChem (CID 79593002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).