4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine

C19H38N2 — CID 61209081

IUPAC4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C19H38N2/c1-6-19(4,5)17-7-9-18(10-8-17)20-13-16-11-12-21(14-16)15(2)3/h15-18,20H,6-14H2,1-5H3
InChIKeyBSYVVGWVEWSSSK-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine (PubChem CID 61209081) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
PubChem CID61209081
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C19H38N2/c1-6-19(4,5)17-7-9-18(10-8-17)20-13-16-11-12-21(14-16)15(2)3/h15-18,20H,6-14H2,1-5H3
InChIKeyBSYVVGWVEWSSSK-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091119
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
3-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
CID 64501124
N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513787
1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62976183
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61207184
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[4.5]decan-8-amine
CID 114817523
1-cyclopropyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62980807
N-[(1-butan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 63849007
4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107412240
4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine
CID 115653405
tert-butyl 3-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104530945

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine (CID 61209081) is 4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine is CCC(C)(C)C1CCC(NCC2CCN(C(C)C)C2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is BSYVVGWVEWSSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-6-19(4,5)17-7-9-18(10-8-17)20-13-16-11-12-21(14-16)15(2)3/h15-18,20H,6-14H2,1-5H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 61209081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).