N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine

C18H36N2 — CID 106621648

IUPACN-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCC(C)CC(CC(C)C)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C18H36N2/c1-14(2)11-18(12-15(3)4)20(17-8-9-17)13-16-7-5-6-10-19-16/h14-19H,5-13H2,1-4H3
InChIKeyOLXXCUJBGFEAGB-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds8

About N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine

N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine (PubChem CID 106621648) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine
PubChem CID106621648
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCC(C)CC(CC(C)C)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C18H36N2/c1-14(2)11-18(12-15(3)4)20(17-8-9-17)13-16-7-5-6-10-19-16/h14-19H,5-13H2,1-4H3
InChIKeyOLXXCUJBGFEAGB-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylpentan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599096
N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621821
4,4-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106622300
N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599994
N-(piperidin-2-ylmethyl)-N-propan-2-yloxetan-3-amine
CID 176601027
1-ethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpiperidin-4-amine
CID 106622124
N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 114276073
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106631682
N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide
CID 106631536
8-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 106621974
N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine
CID 116906639
N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine
CID 106622294

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine (CID 106621648) is N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine is CC(C)CC(CC(C)C)N(CC1CCCCN1)C1CC1.
What is the InChIKey of N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The InChIKey is OLXXCUJBGFEAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14(2)11-18(12-15(3)4)20(17-8-9-17)13-16-7-5-6-10-19-16/h14-19H,5-13H2,1-4H3.
What are the key properties of N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106621648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).