ethane;2-(heptylamino)ethyl N-butylcarbamate

C16H36N2O2 — CID 144831677

IUPACethane;2-(heptylamino)ethyl N-butylcarbamate
SMILESCC.CCCCCCCNCCOC(=O)NCCCC
InChIInChI=1S/C14H30N2O2.C2H6/c1-3-5-7-8-9-10-15-12-13-18-14(17)16-11-6-4-2;1-2/h15H,3-13H2,1-2H3,(H,16,17);1-2H3
InChIKeyNDMDOCPJWPZHJO-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.10
Rot. Bonds12

About ethane;2-(heptylamino)ethyl N-butylcarbamate

ethane;2-(heptylamino)ethyl N-butylcarbamate (PubChem CID 144831677) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is ethane;2-(heptylamino)ethyl N-butylcarbamate.

Molecular Properties

Compound Nameethane;2-(heptylamino)ethyl N-butylcarbamate
PubChem CID144831677
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Nameethane;2-(heptylamino)ethyl N-butylcarbamate
SMILESCC.CCCCCCCNCCOC(=O)NCCCC
InChIInChI=1S/C14H30N2O2.C2H6/c1-3-5-7-8-9-10-15-12-13-18-14(17)16-11-6-4-2;1-2/h15H,3-13H2,1-2H3,(H,16,17);1-2H3
InChIKeyNDMDOCPJWPZHJO-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(propylamino)ethyl N-butylcarbamate
CID 79338122
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
2-bromoethyl N-octadecylcarbamate
CID 59133738
azane;octyl N-octylcarbamate
CID 175531380
2-hydroxyethyl N-heptylcarbamate
CID 124705283
3-[3-(butylamino)propoxy]propyl N-butylcarbamate
CID 87800133
2-fluoroethyl N-hexylcarbamate
CID 87287131
2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate
CID 58912391

Frequently Asked Questions

What is the IUPAC name of ethane;2-(heptylamino)ethyl N-butylcarbamate?
The IUPAC name of ethane;2-(heptylamino)ethyl N-butylcarbamate (CID 144831677) is ethane;2-(heptylamino)ethyl N-butylcarbamate.
What is the SMILES notation for ethane;2-(heptylamino)ethyl N-butylcarbamate?
The canonical SMILES for ethane;2-(heptylamino)ethyl N-butylcarbamate is CC.CCCCCCCNCCOC(=O)NCCCC.
What is the InChIKey of ethane;2-(heptylamino)ethyl N-butylcarbamate?
The InChIKey is NDMDOCPJWPZHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2.C2H6/c1-3-5-7-8-9-10-15-12-13-18-14(17)16-11-6-4-2;1-2/h15H,3-13H2,1-2H3,(H,16,17);1-2H3.
What are the key properties of ethane;2-(heptylamino)ethyl N-butylcarbamate?
ethane;2-(heptylamino)ethyl N-butylcarbamate has a molecular weight of 288.48 g/mol, XLogP of 4.10, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(heptylamino)ethyl N-butylcarbamate is sourced from PubChem (CID 144831677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).