(3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine

C14H28N2O — CID 131915740

IUPAC(3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-11(2)16-9-13(14(10-16)17-3)15-12-7-5-4-6-8-12/h11-15H,4-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyOYOTZNLEXGCLPY-KBPBESRZSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine

(3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 131915740) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine
PubChem CID131915740
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-11(2)16-9-13(14(10-16)17-3)15-12-7-5-4-6-8-12/h11-15H,4-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyOYOTZNLEXGCLPY-KBPBESRZSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methoxyethyl)(methyl)((pyrrolidin-2-yl)methyl)amine
CID 50989303
4-Methoxy-1-(pyrrolidin-3-yl)piperidine
CID 62327575
4-[(2S,3S)-2-Methylpyrrolidin-3-yl]morpholine
CID 99868085
(((2S,4S)-4-methoxypyrrolidin-2-yl)methyl)dimethylamine
CID 93629690
4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine
CID 99868082
4-(5-Methylpyrrolidin-3-yl)morpholine
CID 119030994
{[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl}(methyl)amine
CID 121552283
rac-(1R,2S)-2-(3-methoxypyrrolidin-1-yl)cyclopentan-1-amine
CID 137833669
(3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 10489453
4-Amino-1-cyclohexyl-3-pyrrolidinol
CID 10154346
(4-Propan-2-yloxypyrrolidin-2-yl)methanamine
CID 17920485
4-Methoxy-2-methylpyrrolidin-3-amine
CID 19694996

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine (CID 131915740) is (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine is CO[C@H]1CN(C(C)C)C[C@@H]1NC1CCCCC1.
What is the InChIKey of (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is OYOTZNLEXGCLPY-KBPBESRZSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)16-9-13(14(10-16)17-3)15-12-7-5-4-6-8-12/h11-15H,4-10H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine?
(3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 131915740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).