N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine

C12H27N3 — CID 83963163

IUPACN-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine
SMILESCNCCC1CCN(CCNC(C)C)C1
InChIInChI=1S/C12H27N3/c1-11(2)14-7-9-15-8-5-12(10-15)4-6-13-3/h11-14H,4-10H2,1-3H3
InChIKeyOMLXZLMNTSNVSF-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.92
Rot. Bonds7

About N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine

N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine (PubChem CID 83963163) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine
PubChem CID83963163
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine
SMILESCNCCC1CCN(CCNC(C)C)C1
InChIInChI=1S/C12H27N3/c1-11(2)14-7-9-15-8-5-12(10-15)4-6-13-3/h11-14H,4-10H2,1-3H3
InChIKeyOMLXZLMNTSNVSF-UHFFFAOYSA-N
XLogP0.92
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine
CID 83963211
2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine
CID 83963164
N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine
CID 177193446
(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
CID 94895891
N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine
CID 83982939
tert-butyl N-[[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 83963126
ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen
CID 156795305
N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine
CID 83963223
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
CID 63622599
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
CID 64582200
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine (CID 83963163) is N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine is CNCCC1CCN(CCNC(C)C)C1.
What is the InChIKey of N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine?
The InChIKey is OMLXZLMNTSNVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(2)14-7-9-15-8-5-12(10-15)4-6-13-3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine?
N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 83963163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).