methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate

C14H27N3O2 — CID 144745494

IUPACmethyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate
SMILESCOC(=O)NCCN[C@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C14H27N3O2/c1-19-14(18)16-9-8-15-12-6-2-3-7-13(12)17-10-4-5-11-17/h12-13,15H,2-11H2,1H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyAOAWGHWDJQFSSB-STQMWFEESA-N
MW269.39 g/mol
LogP1.34
Rot. Bonds5

About methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate

methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate (PubChem CID 144745494) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate
PubChem CID144745494
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Namemethyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate
SMILESCOC(=O)NCCN[C@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C14H27N3O2/c1-19-14(18)16-9-8-15-12-6-2-3-7-13(12)17-10-4-5-11-17/h12-13,15H,2-11H2,1H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyAOAWGHWDJQFSSB-STQMWFEESA-N
XLogP1.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate;molecular hydrogen
CID 144745493
3-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]-1,1-dimethylurea
CID 83117106
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508
N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
CID 63466183
methyl N-[2-(cyclopropylamino)ethyl]carbamate
CID 62663328
1-cyclohexylpyrrolidine;methyl N-(2-aminoethyl)carbamate;molecular hydrogen
CID 144745497
N-[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]propanamide
CID 71665848
2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine
CID 63972305
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide
CID 106333825
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 14350171
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide
CID 62623237
N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853529

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate (CID 144745494) is methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate is COC(=O)NCCN[C@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate?
The InChIKey is AOAWGHWDJQFSSB-STQMWFEESA-N. The full InChI is InChI=1S/C14H27N3O2/c1-19-14(18)16-9-8-15-12-6-2-3-7-13(12)17-10-4-5-11-17/h12-13,15H,2-11H2,1H3,(H,16,18)/t12-,13-/m0/s1.
What are the key properties of methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate?
methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate has a molecular weight of 269.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate is sourced from PubChem (CID 144745494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).