pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate

C18H35NO2 — CID 90893690

IUPACpentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate
SMILESCCCCCOC(=O)N(C)CCCC(C)CC1CCCC1
InChIInChI=1S/C18H35NO2/c1-4-5-8-14-21-18(20)19(3)13-9-10-16(2)15-17-11-6-7-12-17/h16-17H,4-15H2,1-3H3
InChIKeyBRRZPVJWJOEDRF-UHFFFAOYSA-N
MW297.48 g/mol
LogP5.24
Rot. Bonds10

About pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate

pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate (PubChem CID 90893690) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate.

Molecular Properties

Compound Namepentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate
PubChem CID90893690
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Namepentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate
SMILESCCCCCOC(=O)N(C)CCCC(C)CC1CCCC1
InChIInChI=1S/C18H35NO2/c1-4-5-8-14-21-18(20)19(3)13-9-10-16(2)15-17-11-6-7-12-17/h16-17H,4-15H2,1-3H3
InChIKeyBRRZPVJWJOEDRF-UHFFFAOYSA-N
XLogP5.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.48
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

undecyl N-methyl-N-pentylcarbamate
CID 54297307
pentyl N-methyl-N-propylcarbamate
CID 58662040
pentyl N-cyclohexyl-N-methylcarbamate
CID 141208819
2-methyltridecylcyclopropane
CID 123424034
6-cyclopentyl-5-methylhexanoic acid
CID 70074229
octyl 2-amino-2-cyclohexylacetate
CID 63539863
1-butyl-3-(cyclopentylmethyl)-1-methylurea
CID 108902611
6-cyclohexyl-5-methylhexanoic acid
CID 70072548
2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate
CID 130304741
pentyl N,N-dimethylcarbamate
CID 18534522
propan-2-yl N-methyl-N-octylcarbamate
CID 166755395
propan-2-yl N-hexyl-N-methylcarbamate
CID 88569732

Frequently Asked Questions

What is the IUPAC name of pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate?
The IUPAC name of pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate (CID 90893690) is pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate.
What is the SMILES notation for pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate?
The canonical SMILES for pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate is CCCCCOC(=O)N(C)CCCC(C)CC1CCCC1.
What is the InChIKey of pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate?
The InChIKey is BRRZPVJWJOEDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-5-8-14-21-18(20)19(3)13-9-10-16(2)15-17-11-6-7-12-17/h16-17H,4-15H2,1-3H3.
What are the key properties of pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate?
pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate has a molecular weight of 297.48 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-(5-cyclopentyl-4-methylpentyl)-N-methylcarbamate is sourced from PubChem (CID 90893690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).