N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine

C14H27N — CID 102641124

IUPACN-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine
SMILESC=CC(C)(CNC1CC1)CC(C)CCC
InChIInChI=1S/C14H27N/c1-5-7-12(3)10-14(4,6-2)11-15-13-8-9-13/h6,12-13,15H,2,5,7-11H2,1,3-4H3
InChIKeyUEFQDGJNFYBZTM-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds8

About N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine

N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine (PubChem CID 102641124) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine
PubChem CID102641124
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine
SMILESC=CC(C)(CNC1CC1)CC(C)CCC
InChIInChI=1S/C14H27N/c1-5-7-12(3)10-14(4,6-2)11-15-13-8-9-13/h6,12-13,15H,2,5,7-11H2,1,3-4H3
InChIKeyUEFQDGJNFYBZTM-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethenyl-2-methylhexyl)cyclopropanamine
CID 102641141
N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641172
N-[2-(2-ethylsulfanylethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641265
N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine
CID 102641239
1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol
CID 103283560
N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 106931005
N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641139
N-cyclopropyl-N',2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62263755
N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
CID 107053624
N-[2-methyl-3-(2-methylpentoxy)propyl]cyclopropanamine
CID 103284483
N-(2,2,5-trimethylhexyl)cyclopropanamine
CID 62724341
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62256141

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine?
The IUPAC name of N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine (CID 102641124) is N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine?
The canonical SMILES for N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine is C=CC(C)(CNC1CC1)CC(C)CCC.
What is the InChIKey of N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine?
The InChIKey is UEFQDGJNFYBZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-7-12(3)10-14(4,6-2)11-15-13-8-9-13/h6,12-13,15H,2,5,7-11H2,1,3-4H3.
What are the key properties of N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine?
N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine is sourced from PubChem (CID 102641124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).