cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide

C17H31N3O — CID 124737514

IUPACcis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCC[C@H](N[C@H]2CCN(C3CC3)C2)C1
InChIInChI=1S/C17H31N3O/c1-12(2)18-17(21)13-4-3-5-14(10-13)19-15-8-9-20(11-15)16-6-7-16/h12-16,19H,3-11H2,1-2H3,(H,18,21)/t13-,14+,15+/m1/s1
InChIKeyPSRNQYBYGGQHTJ-ILXRZTDVSA-N
MW293.45 g/mol
LogP1.90
Rot. Bonds5

About cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide

cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 124737514) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID124737514
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Namecis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCC[C@H](N[C@H]2CCN(C3CC3)C2)C1
InChIInChI=1S/C17H31N3O/c1-12(2)18-17(21)13-4-3-5-14(10-13)19-15-8-9-20(11-15)16-6-7-16/h12-16,19H,3-11H2,1-2H3,(H,18,21)/t13-,14+,15+/m1/s1
InChIKeyPSRNQYBYGGQHTJ-ILXRZTDVSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide (CID 124737514) is cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)[C@@H]1CCC[C@H](N[C@H]2CCN(C3CC3)C2)C1.
What is the InChIKey of cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is PSRNQYBYGGQHTJ-ILXRZTDVSA-N. The full InChI is InChI=1S/C17H31N3O/c1-12(2)18-17(21)13-4-3-5-14(10-13)19-15-8-9-20(11-15)16-6-7-16/h12-16,19H,3-11H2,1-2H3,(H,18,21)/t13-,14+,15+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide?
cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 124737514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).