tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate

C18H36N2O3 — CID 103387264

IUPACtert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC1CCCCC1C
InChIInChI=1S/C18H36N2O3/c1-14-9-6-7-11-16(14)20-15(13-22-5)10-8-12-19-17(21)23-18(2,3)4/h14-16,20H,6-13H2,1-5H3,(H,19,21)
InChIKeyHRRPESXEPUWHHR-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.47
Rot. Bonds8

About tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate

tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate (PubChem CID 103387264) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate
PubChem CID103387264
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC1CCCCC1C
InChIInChI=1S/C18H36N2O3/c1-14-9-6-7-11-16(14)20-15(13-22-5)10-8-12-19-17(21)23-18(2,3)4/h14-16,20H,6-13H2,1-5H3,(H,19,21)
InChIKeyHRRPESXEPUWHHR-UHFFFAOYSA-N
XLogP3.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.47
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

tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate
CID 103387806
tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate
CID 103390972
tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
CID 103386966
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate
CID 103695809
tert-butyl N-[4-(3,3-dimethylbutan-2-ylamino)-5-methoxypentyl]carbamate
CID 103390924
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-[4-[(2-hydroxy-2-methylpropyl)amino]-5-methoxypentyl]carbamate
CID 103390147
tert-butyl N-[4-(2-butoxyethylamino)-5-methoxypentyl]carbamate
CID 103389448
tert-butyl N-[5-methoxy-4-(pent-4-ynylamino)pentyl]carbamate
CID 106220539
tert-butyl N-[5-methoxy-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888
tert-butyl N-[5-methoxy-4-[[(E)-pent-3-enyl]amino]pentyl]carbamate
CID 103390947

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate (CID 103387264) is tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NC1CCCCC1C.
What is the InChIKey of tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate?
The InChIKey is HRRPESXEPUWHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-14-9-6-7-11-16(14)20-15(13-22-5)10-8-12-19-17(21)23-18(2,3)4/h14-16,20H,6-13H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate?
tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate has a molecular weight of 328.50 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate is sourced from PubChem (CID 103387264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).