N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine

C17H34N2 — CID 112840886

IUPACN-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C17H34N2/c1-3-4-11-18(2)14-17-9-12-19(13-10-17)15-16-7-5-6-8-16/h16-17H,3-15H2,1-2H3
InChIKeyMRFAGSHXNDZKEG-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.62
Rot. Bonds7

About N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine

N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 112840886) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine
PubChem CID112840886
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C17H34N2/c1-3-4-11-18(2)14-17-9-12-19(13-10-17)15-16-7-5-6-8-16/h16-17H,3-15H2,1-2H3
InChIKeyMRFAGSHXNDZKEG-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine (CID 112840886) is N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)CC1CCN(CC2CCCC2)CC1.
What is the InChIKey of N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is MRFAGSHXNDZKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-4-11-18(2)14-17-9-12-19(13-10-17)15-16-7-5-6-8-16/h16-17H,3-15H2,1-2H3.
What are the key properties of N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine?
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 112840886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).