N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine

C15H30N2 — CID 107448296

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NCC2CCN(C)C2)C1
InChIInChI=1S/C15H30N2/c1-12(2)14-5-4-6-15(9-14)16-10-13-7-8-17(3)11-13/h12-16H,4-11H2,1-3H3
InChIKeySKDKOHDLTBSFRQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.74
Rot. Bonds4

About N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine

N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448296) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448296
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NCC2CCN(C)C2)C1
InChIInChI=1S/C15H30N2/c1-12(2)14-5-4-6-15(9-14)16-10-13-7-8-17(3)11-13/h12-16H,4-11H2,1-3H3
InChIKeySKDKOHDLTBSFRQ-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448828
N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentanamine
CID 60856905
1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine
CID 103748264
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704648
N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073948
N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 103922834
3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 107448605
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 71179367
N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561823
1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62976183
3-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclopentan-1-amine
CID 64502172

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine (CID 107448296) is N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(NCC2CCN(C)C2)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is SKDKOHDLTBSFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)14-5-4-6-15(9-14)16-10-13-7-8-17(3)11-13/h12-16H,4-11H2,1-3H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine?
N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).