(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine

C10H22N2 — CID 94057880

IUPAC(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
SMILESCC(C)N[C@H]1CCN(C(C)C)C1
InChIInChI=1S/C10H22N2/c1-8(2)11-10-5-6-12(7-10)9(3)4/h8-11H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyYWKMDTWATBXBSO-JTQLQIEISA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds3

About (3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine

(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine (PubChem CID 94057880) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
PubChem CID94057880
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
SMILESCC(C)N[C@H]1CCN(C(C)C)C1
InChIInChI=1S/C10H22N2/c1-8(2)11-10-5-6-12(7-10)9(3)4/h8-11H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyYWKMDTWATBXBSO-JTQLQIEISA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclobutylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115717125
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine
CID 114415416
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 177033452
N-(1-methylsulfanylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 115721705
N-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)azetidin-3-amine
CID 170184824
N-(2-methylcyclopentyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63277763
2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol
CID 115689458
1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71632965
N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 64605853
1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine
CID 114115331
N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 115901796

Frequently Asked Questions

What is the IUPAC name of (3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine (CID 94057880) is (3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine is CC(C)N[C@H]1CCN(C(C)C)C1.
What is the InChIKey of (3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine?
The InChIKey is YWKMDTWATBXBSO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)11-10-5-6-12(7-10)9(3)4/h8-11H,5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of (3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine?
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine has a molecular weight of 170.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 94057880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).