N-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine

C18H36N2 — CID 106605387

IUPACN-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)CN(CC1CCCN1)C1CCCCC1C(C)C
InChIInChI=1S/C18H36N2/c1-14(2)12-20(13-16-8-7-11-19-16)18-10-6-5-9-17(18)15(3)4/h14-19H,5-13H2,1-4H3
InChIKeyLBMTZCNUYUOKOA-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds6

About N-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine

N-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 106605387) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
PubChem CID106605387
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)CN(CC1CCCN1)C1CCCCC1C(C)C
InChIInChI=1S/C18H36N2/c1-14(2)12-20(13-16-8-7-11-19-16)18-10-6-5-9-17(18)15(3)4/h14-19H,5-13H2,1-4H3
InChIKeyLBMTZCNUYUOKOA-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-(2-methoxyethyl)-5-methyl-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106606246
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274
N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
CID 104870302
N-cyclopropyl-5-methyl-N-(piperidin-2-ylmethyl)-2-propan-2-ylcyclohexan-1-amine
CID 106621811
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106604377
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 106605357
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106611236
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603221
N-(1-methoxypropan-2-yl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605152
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine (CID 106605387) is N-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine is CC(C)CN(CC1CCCN1)C1CCCCC1C(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is LBMTZCNUYUOKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14(2)12-20(13-16-8-7-11-19-16)18-10-6-5-9-17(18)15(3)4/h14-19H,5-13H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
N-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 106605387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).