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

C13H29N3 — CID 63167315

IUPACN,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine
SMILESCC(C)C(C)NCCN1CCC(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-11(2)12(3)14-7-9-16-8-6-13(10-16)15(4)5/h11-14H,6-10H2,1-5H3
InChIKeyMJRTZZUSEUGBBX-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds6

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

N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine (PubChem CID 63167315) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine
PubChem CID63167315
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine
SMILESCC(C)C(C)NCCN1CCC(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-11(2)12(3)14-7-9-16-8-6-13(10-16)15(4)5/h11-14H,6-10H2,1-5H3
InChIKeyMJRTZZUSEUGBBX-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167950
N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine
CID 63167526
3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 62574451
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
CID 55089717
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine
CID 115562332
1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 63169311
1-[2-(ethylamino)propyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164255
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 103935148
3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine
CID 62573692
1-[5-(ethylamino)pentyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166700
N,N-dimethyl-1-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]pyrrolidin-3-amine
CID 55157989
N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine
CID 63167443

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine (CID 63167315) is N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine is CC(C)C(C)NCCN1CCC(N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine?
The InChIKey is MJRTZZUSEUGBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)12(3)14-7-9-16-8-6-13(10-16)15(4)5/h11-14H,6-10H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 6 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-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 63167315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).