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

C12H26N2 — CID 62561816

IUPACN-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCN1CCC(C)C1
InChIInChI=1S/C12H26N2/c1-4-5-12(3)13-7-9-14-8-6-11(2)10-14/h11-13H,4-10H2,1-3H3
InChIKeyVBHBDEIDAGSICU-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds6

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

N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine (PubChem CID 62561816) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine
PubChem CID62561816
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCN1CCC(C)C1
InChIInChI=1S/C12H26N2/c1-4-5-12(3)13-7-9-14-8-6-11(2)10-14/h11-13H,4-10H2,1-3H3
InChIKeyVBHBDEIDAGSICU-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167950
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine
CID 103540061
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
CID 64582200
[1-[2-(pentan-2-ylamino)ethyl]piperidin-4-yl]methanol
CID 115718460
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine
CID 104961127
N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]pentan-2-amine
CID 63151207
N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pentan-2-amine
CID 62776170
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pentan-2-amine
CID 115718265
4-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
CID 62561809
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]pentan-2-amine
CID 62773872
3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 62574451
N-[2-(2-ethylazepan-1-yl)ethyl]pentan-2-amine
CID 113442007

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine (CID 62561816) is N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine is CCCC(C)NCCN1CCC(C)C1.
What is the InChIKey of N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine?
The InChIKey is VBHBDEIDAGSICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-5-12(3)13-7-9-14-8-6-11(2)10-14/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine?
N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 62561816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).