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

C12H26N2 — CID 62573692

IUPAC3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine
SMILESCC(C)C(C)NCCN1CCCC1C
InChIInChI=1S/C12H26N2/c1-10(2)12(4)13-7-9-14-8-5-6-11(14)3/h10-13H,5-9H2,1-4H3
InChIKeyKKIPSBDIKCXHHM-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds5

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

3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine (PubChem CID 62573692) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine
PubChem CID62573692
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine
SMILESCC(C)C(C)NCCN1CCCC1C
InChIInChI=1S/C12H26N2/c1-10(2)12(4)13-7-9-14-8-5-6-11(14)3/h10-13H,5-9H2,1-4H3
InChIKeyKKIPSBDIKCXHHM-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine
CID 115724992
N-[2-(2-methylpiperidin-1-yl)ethyl]pentan-3-amine
CID 62575153
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62575881
N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine
CID 104581801
N-(cyclopropylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 60973348
N-(3-methylbutan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 60696032
N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride
CID 130686018
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167315
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine
CID 115562332
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
CID 55089717
N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine
CID 170184827

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine (CID 62573692) is 3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine is CC(C)C(C)NCCN1CCCC1C.
What is the InChIKey of 3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine?
The InChIKey is KKIPSBDIKCXHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)12(4)13-7-9-14-8-5-6-11(14)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine?
3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 62573692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).