N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine

C17H34N2 — CID 106631447

IUPACN-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCCCCC(CC)CN(CC1CCCCN1)C1CC1
InChIInChI=1S/C17H34N2/c1-3-5-8-15(4-2)13-19(17-10-11-17)14-16-9-6-7-12-18-16/h15-18H,3-14H2,1-2H3
InChIKeyNAFMJUPJOMROJX-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds9

About N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine

N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine (PubChem CID 106631447) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
PubChem CID106631447
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCCCCC(CC)CN(CC1CCCCN1)C1CC1
InChIInChI=1S/C17H34N2/c1-3-5-8-15(4-2)13-19(17-10-11-17)14-16-9-6-7-12-18-16/h15-18H,3-14H2,1-2H3
InChIKeyNAFMJUPJOMROJX-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274
2-ethyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 106632956
N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621821
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621678
N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 114276073
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106631586
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine
CID 102860192
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
CID 106623140
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine (CID 106631447) is N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine is CCCCC(CC)CN(CC1CCCCN1)C1CC1.
What is the InChIKey of N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The InChIKey is NAFMJUPJOMROJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-5-8-15(4-2)13-19(17-10-11-17)14-16-9-6-7-12-18-16/h15-18H,3-14H2,1-2H3.
What are the key properties of N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106631447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).