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

C12H26N2O — CID 103540061

IUPACN-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCN1CCC(OC)C1
InChIInChI=1S/C12H26N2O/c1-4-5-11(2)13-7-9-14-8-6-12(10-14)15-3/h11-13H,4-10H2,1-3H3
InChIKeyVZECQZIYMXIAOD-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds7

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

N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine (PubChem CID 103540061) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine
PubChem CID103540061
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCN1CCC(OC)C1
InChIInChI=1S/C12H26N2O/c1-4-5-11(2)13-7-9-14-8-6-12(10-14)15-3/h11-13H,4-10H2,1-3H3
InChIKeyVZECQZIYMXIAOD-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
CID 64582200
N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine
CID 62561816
[1-[2-(pentan-2-ylamino)ethyl]piperidin-4-yl]methanol
CID 115718460
N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167950
N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532306
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 103532099
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
5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine
CID 62558297
methyl 4-(3-methoxypyrrolidin-1-yl)-2-(propylamino)butanoate
CID 103537953
N-(2-methoxyethyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103534749
N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pentan-2-amine
CID 62776170
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]prop-2-yn-1-amine
CID 103534621

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine (CID 103540061) is N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine is CCCC(C)NCCN1CCC(OC)C1.
What is the InChIKey of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine?
The InChIKey is VZECQZIYMXIAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-5-11(2)13-7-9-14-8-6-12(10-14)15-3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine?
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 103540061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).