1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen

C14H31N3O2 — CID 144745497

IUPAC1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen
SMILESC1CCC(N2CCCC2)CC1.COC(=O)NCCN.[H][H]
InChIInChI=1S/C10H19N.C4H10N2O2.H2/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-8-4(7)6-3-2-5;/h10H,1-9H2;2-3,5H2,1H3,(H,6,7);1H
InChIKeyJBEILSBTXTUQRW-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.96
Rot. Bonds3

About 1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen

1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen (PubChem CID 144745497) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen.

Molecular Properties

Compound Name1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen
PubChem CID144745497
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen
SMILESC1CCC(N2CCCC2)CC1.COC(=O)NCCN.[H][H]
InChIInChI=1S/C10H19N.C4H10N2O2.H2/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-8-4(7)6-3-2-5;/h10H,1-9H2;2-3,5H2,1H3,(H,6,7);1H
InChIKeyJBEILSBTXTUQRW-UHFFFAOYSA-N
XLogP1.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate;molecular hydrogen
CID 144745493
methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate
CID 144745494
N-(2-aminoethyl)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoacetamide
CID 79931298
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508
N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 63252377
N-(2-aminoethyl)-4-cyclopropylpiperazine-1-carboxamide
CID 82508516
N-(2-aminoethyl)-1-(1,1-dioxothian-4-yl)piperidine-3-carboxamide
CID 63252234
1-cyclohexylazocane
CID 23151203
1-cyclooctylpiperidine
CID 89210756
1-cyclooctylpyrrolidine
CID 23277874
methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 63170968
methyl 2-bromo-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 81100758

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen?
The IUPAC name of 1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen (CID 144745497) is 1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen.
What is the SMILES notation for 1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen?
The canonical SMILES for 1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen is C1CCC(N2CCCC2)CC1.COC(=O)NCCN.[H][H].
What is the InChIKey of 1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen?
The InChIKey is JBEILSBTXTUQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C4H10N2O2.H2/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-8-4(7)6-3-2-5;/h10H,1-9H2;2-3,5H2,1H3,(H,6,7);1H.
What are the key properties of 1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen?
1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen has a molecular weight of 273.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen is sourced from PubChem (CID 144745497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).