ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine

C14H31N — CID 145168732

IUPACethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine
SMILESCC.CCCC(CC(C)C)N(C)C1CC1
InChIInChI=1S/C12H25N.C2H6/c1-5-6-12(9-10(2)3)13(4)11-7-8-11;1-2/h10-12H,5-9H2,1-4H3;1-2H3
InChIKeyJOLMKSAOEVALLN-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.32
Rot. Bonds6

About ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine

ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine (PubChem CID 145168732) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine.

Molecular Properties

Compound Nameethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine
PubChem CID145168732
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Nameethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine
SMILESCC.CCCC(CC(C)C)N(C)C1CC1
InChIInChI=1S/C12H25N.C2H6/c1-5-6-12(9-10(2)3)13(4)11-7-8-11;1-2/h10-12H,5-9H2,1-4H3;1-2H3
InChIKeyJOLMKSAOEVALLN-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79123232
1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
CID 143778680
2-N-cyclohexyl-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83043219
1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine
CID 79111184
1-N,4-N-dimethyl-4-N-pentan-2-ylcyclohexane-1,4-diamine
CID 79111269
2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine
CID 115907091
N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
CID 142253638
4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 114868433
N-heptan-4-yl-N-methylpiperidin-3-amine
CID 63644400
2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine
CID 83054828
2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine
CID 61441066
N-methyl-N-propan-2-ylcyclopropanamine
CID 21024125

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine?
The IUPAC name of ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine (CID 145168732) is ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine.
What is the SMILES notation for ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine?
The canonical SMILES for ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine is CC.CCCC(CC(C)C)N(C)C1CC1.
What is the InChIKey of ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine?
The InChIKey is JOLMKSAOEVALLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C2H6/c1-5-6-12(9-10(2)3)13(4)11-7-8-11;1-2/h10-12H,5-9H2,1-4H3;1-2H3.
What are the key properties of ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine?
ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine has a molecular weight of 213.41 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine is sourced from PubChem (CID 145168732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).