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

C18H38N2 — CID 43130097

IUPACN-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine
SMILESCCCCCCCC(C)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C18H38N2/c1-5-6-7-8-9-12-17(4)19-15-18(16(2)3)20-13-10-11-14-20/h16-19H,5-15H2,1-4H3
InChIKeyKYGKZXJXMQUERK-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds11

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

N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine (PubChem CID 43130097) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine.

Molecular Properties

Compound NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine
PubChem CID43130097
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine
SMILESCCCCCCCC(C)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C18H38N2/c1-5-6-7-8-9-12-17(4)19-15-18(16(2)3)20-13-10-11-14-20/h16-19H,5-15H2,1-4H3
InChIKeyKYGKZXJXMQUERK-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine
CID 43771611
(2R)-2-(azepan-1-yl)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-methylbutan-1-amine
CID 99780884
1-dodecan-2-ylpyrrolidine
CID 70871228
N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207839
N-[2-(azepan-1-yl)ethyl]heptan-2-amine
CID 61241150
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
1-(1-iodononan-2-yl)pyrrolidine
CID 69028048
1-(2,2-dimethylundecan-3-yl)pyrrolidine
CID 150582277
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine?
The IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine (CID 43130097) is N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine.
What is the SMILES notation for N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine?
The canonical SMILES for N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine is CCCCCCCC(C)NCC(C(C)C)N1CCCC1.
What is the InChIKey of N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine?
The InChIKey is KYGKZXJXMQUERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-6-7-8-9-12-17(4)19-15-18(16(2)3)20-13-10-11-14-20/h16-19H,5-15H2,1-4H3.
What are the key properties of N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine?
N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 11 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)nonan-2-amine is sourced from PubChem (CID 43130097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).