N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine

C15H32N2 — CID 43771611

IUPACN-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine
SMILESCCCCC(C)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C15H32N2/c1-5-6-9-14(4)16-12-15(13(2)3)17-10-7-8-11-17/h13-16H,5-12H2,1-4H3
InChIKeyUFXMOJUZOIKITB-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds8

About N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine

N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine (PubChem CID 43771611) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine.

Molecular Properties

Compound NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine
PubChem CID43771611
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine
SMILESCCCCC(C)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C15H32N2/c1-5-6-9-14(4)16-12-15(13(2)3)17-10-7-8-11-17/h13-16H,5-12H2,1-4H3
InChIKeyUFXMOJUZOIKITB-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine
CID 43130097
(2R)-2-(azepan-1-yl)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-methylbutan-1-amine
CID 99780884
N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207839
(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
CID 134386655
N-(2-morpholin-4-ylpropyl)hexan-2-amine
CID 115708396
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962
N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide
CID 110403035
N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide
CID 110402901
3-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 43207801
1-N-hexan-2-ylpropane-1,2-diamine
CID 62201000
tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate
CID 103387657
N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43100745

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine?
The IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine (CID 43771611) is N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine.
What is the SMILES notation for N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine?
The canonical SMILES for N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine is CCCCC(C)NCC(C(C)C)N1CCCC1.
What is the InChIKey of N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine?
The InChIKey is UFXMOJUZOIKITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-6-9-14(4)16-12-15(13(2)3)17-10-7-8-11-17/h13-16H,5-12H2,1-4H3.
What are the key properties of N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine?
N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine is sourced from PubChem (CID 43771611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).