N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine

C16H34N2 — CID 102906427

IUPACN-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CC(C(C)C)C(C)C)C1
InChIInChI=1S/C16H34N2/c1-12(2)16(13(3)4)11-18-8-7-15(10-18)9-17-14(5)6/h12-17H,7-11H2,1-6H3
InChIKeyVITVJWUJKUQGHS-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.23
Rot. Bonds7

About N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 102906427) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID102906427
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CC(C(C)C)C(C)C)C1
InChIInChI=1S/C16H34N2/c1-12(2)16(13(3)4)11-18-8-7-15(10-18)9-17-14(5)6/h12-17H,7-11H2,1-6H3
InChIKeyVITVJWUJKUQGHS-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-2,4-dimethylpyrrolidine
CID 249718
ethane;N-methyl-N-[2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethyl]pentan-1-amine
CID 172334864
N-(2-fluoroethyl)-N-methyl-2-(3-methylpyrrolidin-2-yl)ethanamine
CID 172335306
ethane;N-methyl-N-[2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethyl]butan-1-amine
CID 172335998
N-(2-fluoroethyl)-N-[2-(3-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 176602023
(1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 10034728
(1R)-N-ethyl-1-[(3R)-pyrrolidin-3-yl]ethanamine
CID 10240911
(1R)-N,N-dimethyl-1-[(3R)-pyrrolidin-3-yl]ethanamine
CID 10240912
(1R)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 10329404
(1S)-N,N-dimethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 10351803
(1S)-N-Ethyl-1-[(3R)-3-pyrrolidinyl]ethanamine, AldrichCPR
CID 10396939
(1S)-N,N-dimethyl-1-[(3R)-pyrrolidin-3-yl]ethanamine
CID 10396940

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 102906427) is N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(CC(C(C)C)C(C)C)C1.
What is the InChIKey of N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is VITVJWUJKUQGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-12(2)16(13(3)4)11-18-8-7-15(10-18)9-17-14(5)6/h12-17H,7-11H2,1-6H3.
What are the key properties of N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 102906427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).