1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine

C14H28N2 — CID 115689748

IUPAC1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine
SMILESCC(C)N1CCC(NCC2(C(C)C)CC2)C1
InChIInChI=1S/C14H28N2/c1-11(2)14(6-7-14)10-15-13-5-8-16(9-13)12(3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyHVBLSOVIFKBQGQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds5

About 1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine

1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine (PubChem CID 115689748) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine
PubChem CID115689748
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine
SMILESCC(C)N1CCC(NCC2(C(C)C)CC2)C1
InChIInChI=1S/C14H28N2/c1-11(2)14(6-7-14)10-15-13-5-8-16(9-13)12(3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyHVBLSOVIFKBQGQ-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 115689744
N-[(2-methylthiolan-2-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 80528637
N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 107266934
2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
1-[4-[(1-propan-2-ylcyclopropyl)methylamino]piperidin-1-yl]ethanone
CID 103743396
N-(3-methyl-2-propan-2-ylbutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 102904528
N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 103903238
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
CID 94057936
2-methyl-5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pentan-1-ol
CID 103859417
3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol
CID 115689315
N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115689185

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine (CID 115689748) is 1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine is CC(C)N1CCC(NCC2(C(C)C)CC2)C1.
What is the InChIKey of 1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine?
The InChIKey is HVBLSOVIFKBQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)14(6-7-14)10-15-13-5-8-16(9-13)12(3)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine?
1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115689748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).