N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine

C14H30N2 — CID 62257771

IUPACN,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine
SMILESCCNCC(CC)(CC)CN1CCC(C)C1
InChIInChI=1S/C14H30N2/c1-5-14(6-2,11-15-7-3)12-16-9-8-13(4)10-16/h13,15H,5-12H2,1-4H3
InChIKeyHUQUYVLARGBEAK-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds7

About N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine

N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine (PubChem CID 62257771) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine
PubChem CID62257771
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine
SMILESCCNCC(CC)(CC)CN1CCC(C)C1
InChIInChI=1S/C14H30N2/c1-5-14(6-2,11-15-7-3)12-16-9-8-13(4)10-16/h13,15H,5-12H2,1-4H3
InChIKeyHUQUYVLARGBEAK-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine
CID 62259717
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine
CID 55056218
N,2,2-trimethyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62257427
1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol
CID 114681903
1-[2-ethyl-2-(propylaminomethyl)butyl]-4-methylpiperidin-3-ol
CID 102966934
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62257595
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 62263702
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
N,2-diethyl-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 62974610
N,2-diethyl-2-(1,4-thiazepan-4-ylmethyl)butan-1-amine
CID 62270235
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine
CID 63494890
[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol
CID 112629064

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine?
The IUPAC name of N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine (CID 62257771) is N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine?
The canonical SMILES for N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine is CCNCC(CC)(CC)CN1CCC(C)C1.
What is the InChIKey of N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine?
The InChIKey is HUQUYVLARGBEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-14(6-2,11-15-7-3)12-16-9-8-13(4)10-16/h13,15H,5-12H2,1-4H3.
What are the key properties of N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine?
N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 62257771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).