tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate

C17H34N2O2 — CID 107242659

IUPACtert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate
SMILESCCN(CCCNC1CCCCC1C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-6-19(16(20)21-17(3,4)5)13-9-12-18-15-11-8-7-10-14(15)2/h14-15,18H,6-13H2,1-5H3
InChIKeyABCFCWDDLNVYIK-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.80
Rot. Bonds6

About tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate

tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate (PubChem CID 107242659) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate
PubChem CID107242659
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate
SMILESCCN(CCCNC1CCCCC1C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-6-19(16(20)21-17(3,4)5)13-9-12-18-15-11-8-7-10-14(15)2/h14-15,18H,6-13H2,1-5H3
InChIKeyABCFCWDDLNVYIK-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-ethyl-N-[3-[(2-methylthiolan-3-yl)amino]propyl]carbamate
CID 102672059
tert-butyl N-[3-[(4,4-dimethylcycloheptyl)amino]propyl]-N-ethylcarbamate
CID 107242640
tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate
CID 107242772
tert-butyl 3-[[(1S,2S)-2-methylcyclohexyl]amino]propanoate
CID 94133529
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate
CID 103698959
tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate
CID 51135947
tert-butyl N-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]-N-ethylcarbamate
CID 107245360
N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide
CID 65045736
tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate
CID 103920837
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate (CID 107242659) is tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate is CCN(CCCNC1CCCCC1C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate?
The InChIKey is ABCFCWDDLNVYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-19(16(20)21-17(3,4)5)13-9-12-18-15-11-8-7-10-14(15)2/h14-15,18H,6-13H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate?
tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate is sourced from PubChem (CID 107242659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).