4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine

C16H32N2 — CID 106602645

IUPAC4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
SMILESCN(CC1CCCN1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2/c1-16(2,3)13-7-9-15(10-8-13)18(4)12-14-6-5-11-17-14/h13-15,17H,5-12H2,1-4H3
InChIKeyLPUYYEJUVZERII-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds3

About 4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine

4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 106602645) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
PubChem CID106602645
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
SMILESCN(CC1CCCN1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2/c1-16(2,3)13-7-9-15(10-8-13)18(4)12-14-6-5-11-17-14/h13-15,17H,5-12H2,1-4H3
InChIKeyLPUYYEJUVZERII-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(piperidin-2-ylmethyl)-4-propylcycloheptan-1-amine
CID 106623130
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-3-amine
CID 131134698
3-ethyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106602502
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]oxolan-3-amine
CID 104870205
N-methyl-N-(pyrrolidin-2-ylmethyl)oxolan-3-amine
CID 82739396
N,3,3-trimethyl-N-(pyrrolidin-2-ylmethyl)cyclopentan-1-amine
CID 106602628
N,N-dimethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]piperidine-1-carboxamide
CID 106602681
1-cyclopentyl-N-methyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 63631590
N-methyl-N-(piperidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106622935
N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106602778
N-methyl-N-(piperidin-2-ylmethyl)thiolan-3-amine
CID 43296815
acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen
CID 171531463

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine (CID 106602645) is 4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine is CN(CC1CCCN1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is LPUYYEJUVZERII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-16(2,3)13-7-9-15(10-8-13)18(4)12-14-6-5-11-17-14/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 106602645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).