N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine

C12H23NO — CID 104863204

IUPACN-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine
SMILESCOCC(C)C(C)=CCCNC1CC1
InChIInChI=1S/C12H23NO/c1-10(11(2)9-14-3)5-4-8-13-12-6-7-12/h5,11-13H,4,6-9H2,1-3H3
InChIKeyBKAUVLNHLPSAKF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds7

About N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine

N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine (PubChem CID 104863204) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine.

Molecular Properties

Compound NameN-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine
PubChem CID104863204
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine
SMILESCOCC(C)C(C)=CCCNC1CC1
InChIInChI=1S/C12H23NO/c1-10(11(2)9-14-3)5-4-8-13-12-6-7-12/h5,11-13H,4,6-9H2,1-3H3
InChIKeyBKAUVLNHLPSAKF-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine
CID 79598630
N-(4-methyl-5-propan-2-yloxypent-3-enyl)cyclopropanamine
CID 79599787
N-(4,6-dimethyloct-3-enyl)cyclopropanamine
CID 79598638
1-methoxy-4-[(4-propan-2-ylcyclohexyl)amino]butan-2-ol
CID 103876423
N-(4,6-dimethylnon-3-enyl)cyclopropanamine
CID 79606790
N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine
CID 104940657
N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine
CID 116500457
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
1-(cyclopropylamino)-3-methoxypropan-2-ol
CID 21034992
N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)amino]acetamide
CID 113242883
N-[4-(4-ethylcyclohexyl)pent-3-enyl]cyclopropanamine
CID 79598240
N-(3-chloro-4-methoxybutyl)cyclopentanamine
CID 106242445

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine?
The IUPAC name of N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine (CID 104863204) is N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine.
What is the SMILES notation for N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine?
The canonical SMILES for N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine is COCC(C)C(C)=CCCNC1CC1.
What is the InChIKey of N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine?
The InChIKey is BKAUVLNHLPSAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(11(2)9-14-3)5-4-8-13-12-6-7-12/h5,11-13H,4,6-9H2,1-3H3.
What are the key properties of N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine?
N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine is sourced from PubChem (CID 104863204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).