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

C17H34N2 — CID 107449581

IUPAC3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
SMILESCCCN(CC1CCCN1)C1CCCC(C(C)C)C1
InChIInChI=1S/C17H34N2/c1-4-11-19(13-16-8-6-10-18-16)17-9-5-7-15(12-17)14(2)3/h14-18H,4-13H2,1-3H3
InChIKeyVLCBGSAGJIGQAW-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds6

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

3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 107449581) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
PubChem CID107449581
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
SMILESCCCN(CC1CCCN1)C1CCCC(C(C)C)C1
InChIInChI=1S/C17H34N2/c1-4-11-19(13-16-8-6-10-18-16)17-9-5-7-15(12-17)14(2)3/h14-18H,4-13H2,1-3H3
InChIKeyVLCBGSAGJIGQAW-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 107449580
N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 106603889
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604544
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067
4-[propyl(pyrrolidin-2-ylmethyl)amino]azepan-2-one
CID 106615853
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclopentan-1-amine
CID 106604021
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106604377
N-(3,3-diethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599695
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine (CID 107449581) is 3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine is CCCN(CC1CCCN1)C1CCCC(C(C)C)C1.
What is the InChIKey of 3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is VLCBGSAGJIGQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-11-19(13-16-8-6-10-18-16)17-9-5-7-15(12-17)14(2)3/h14-18H,4-13H2,1-3H3.
What are the key properties of 3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 107449581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).