N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine

C13H29N3 — CID 63167950

IUPACN,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine
SMILESCCCC(C)NCCN1CCC(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-5-6-12(2)14-8-10-16-9-7-13(11-16)15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyQBKVMGNJODPMKI-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds7

About N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine

N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine (PubChem CID 63167950) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine
PubChem CID63167950
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine
SMILESCCCC(C)NCCN1CCC(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-5-6-12(2)14-8-10-16-9-7-13(11-16)15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyQBKVMGNJODPMKI-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167315
N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine
CID 62561816
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,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 63169385
1-[2-(ethylamino)propyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164255
N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine
CID 63167526
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-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine
CID 62554564
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine
CID 104961127

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine (CID 63167950) is N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine is CCCC(C)NCCN1CCC(N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine?
The InChIKey is QBKVMGNJODPMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-6-12(2)14-8-10-16-9-7-13(11-16)15(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 63167950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).