N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine

C17H34N2 — CID 107449580

IUPACN,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)C1CCCC(N(CC2CCCN2)C(C)C)C1
InChIInChI=1S/C17H34N2/c1-13(2)15-7-5-9-17(11-15)19(14(3)4)12-16-8-6-10-18-16/h13-18H,5-12H2,1-4H3
InChIKeyQHLNRYWLTKLCHM-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.66
Rot. Bonds5

About N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine

N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 107449580) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
PubChem CID107449580
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)C1CCCC(N(CC2CCCN2)C(C)C)C1
InChIInChI=1S/C17H34N2/c1-13(2)15-7-5-9-17(11-15)19(14(3)4)12-16-8-6-10-18-16/h13-18H,5-12H2,1-4H3
InChIKeyQHLNRYWLTKLCHM-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 107449581
N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 177048522
8-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 106621974
1,5-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrolidin-3-amine
CID 106603013
N-(piperidin-2-ylmethyl)-N-propan-2-yloxetan-3-amine
CID 176601027
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604544
4,4-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106622300
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 106622307
1-ethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpiperidin-4-amine
CID 106622124
N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine
CID 106622294
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106604377

Frequently Asked Questions

What is the IUPAC name of N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine (CID 107449580) is N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine is CC(C)C1CCCC(N(CC2CCCN2)C(C)C)C1.
What is the InChIKey of N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is QHLNRYWLTKLCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)15-7-5-9-17(11-15)19(14(3)4)12-16-8-6-10-18-16/h13-18H,5-12H2,1-4H3.
What are the key properties of N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 107449580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).