N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine

C16H35N3 — CID 83055142

IUPACN,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine
SMILESCCCC(CNC(C)C)N1CCC(N(CC)CC)C1
InChIInChI=1S/C16H35N3/c1-6-9-15(12-17-14(4)5)19-11-10-16(13-19)18(7-2)8-3/h14-17H,6-13H2,1-5H3
InChIKeyKZQQKOKAHTVBHK-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds9

About N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine

N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine (PubChem CID 83055142) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine
PubChem CID83055142
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine
SMILESCCCC(CNC(C)C)N1CCC(N(CC)CC)C1
InChIInChI=1S/C16H35N3/c1-6-9-15(12-17-14(4)5)19-11-10-16(13-19)18(7-2)8-3/h14-17H,6-13H2,1-5H3
InChIKeyKZQQKOKAHTVBHK-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[1-(propylamino)pentan-2-yl]pyrrolidin-3-amine
CID 83055333
N-propan-2-yl-2-(3-propylpyrrolidin-1-yl)pentan-1-amine
CID 113419061
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine
CID 83055159
N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine
CID 103226506
2-(2-ethylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
CID 83054455
1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine
CID 103226503
1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine
CID 63166974
4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol
CID 64721493
N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine
CID 62439844
2-(2,4-dimethylpiperidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 83054193
N-ethyl-1-propan-2-yl-N-propylpiperidin-4-amine
CID 142371504
N,N-dimethyl-1-[1-(propan-2-ylamino)propan-2-yl]piperidin-4-amine
CID 62433161

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine (CID 83055142) is N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine is CCCC(CNC(C)C)N1CCC(N(CC)CC)C1.
What is the InChIKey of N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine?
The InChIKey is KZQQKOKAHTVBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-9-15(12-17-14(4)5)19-11-10-16(13-19)18(7-2)8-3/h14-17H,6-13H2,1-5H3.
What are the key properties of N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine?
N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 83055142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).