N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine

C14H30N2 — CID 62439520

IUPACN-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine
SMILESCC(C)C(CNC(C)(C)C)N1CCCC1C
InChIInChI=1S/C14H30N2/c1-11(2)13(10-15-14(4,5)6)16-9-7-8-12(16)3/h11-13,15H,7-10H2,1-6H3
InChIKeyBUGAHTAJKAQDPS-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds4

About N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine

N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine (PubChem CID 62439520) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine
PubChem CID62439520
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine
SMILESCC(C)C(CNC(C)(C)C)N1CCCC1C
InChIInChI=1S/C14H30N2/c1-11(2)13(10-15-14(4,5)6)16-9-7-8-12(16)3/h11-13,15H,7-10H2,1-6H3
InChIKeyBUGAHTAJKAQDPS-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine
CID 62438112
2-methyl-1-(2-methylpentan-3-yl)piperidine
CID 89179224
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine
CID 115562182
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-tert-butyl-3-methylbutan-1-amine
CID 63492411
N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine
CID 62412730
2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 81011394
N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 62437857
N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine
CID 79408559
N,2-dimethyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 79415038
1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine
CID 63166974
2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 79415139
N-[2-(2-cyclopentylpyrrolidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 62431505

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine (CID 62439520) is N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine is CC(C)C(CNC(C)(C)C)N1CCCC1C.
What is the InChIKey of N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is BUGAHTAJKAQDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)13(10-15-14(4,5)6)16-9-7-8-12(16)3/h11-13,15H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine?
N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 62439520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).