N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine

C16H32N2 — CID 102776131

IUPACN-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
SMILESCC(C)CC1(CNCC2NCCC2C)CCCC1
InChIInChI=1S/C16H32N2/c1-13(2)10-16(7-4-5-8-16)12-17-11-15-14(3)6-9-18-15/h13-15,17-18H,4-12H2,1-3H3
InChIKeyXQUBKTFZTRTCNA-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.18
Rot. Bonds6

About N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine

N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine (PubChem CID 102776131) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
PubChem CID102776131
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
SMILESCC(C)CC1(CNCC2NCCC2C)CCCC1
InChIInChI=1S/C16H32N2/c1-13(2)10-16(7-4-5-8-16)12-17-11-15-14(3)6-9-18-15/h13-15,17-18H,4-12H2,1-3H3
InChIKeyXQUBKTFZTRTCNA-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine (CID 102776131) is N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine is CC(C)CC1(CNCC2NCCC2C)CCCC1.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine?
The InChIKey is XQUBKTFZTRTCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)10-16(7-4-5-8-16)12-17-11-15-14(3)6-9-18-15/h13-15,17-18H,4-12H2,1-3H3.
What are the key properties of N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine?
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(3-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 102776131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).