methyl N-(cyclopropylmethyl)-N-propylcarbamate

C9H17NO2 — CID 115575376

IUPACmethyl N-(cyclopropylmethyl)-N-propylcarbamate
SMILESCCCN(CC1CC1)C(=O)OC
InChIInChI=1S/C9H17NO2/c1-3-6-10(9(11)12-2)7-8-4-5-8/h8H,3-7H2,1-2H3
InChIKeyHAUIIMFEUZCWSQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.87
Rot. Bonds4

About methyl N-(cyclopropylmethyl)-N-propylcarbamate

methyl N-(cyclopropylmethyl)-N-propylcarbamate (PubChem CID 115575376) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl N-(cyclopropylmethyl)-N-propylcarbamate.

Molecular Properties

Compound Namemethyl N-(cyclopropylmethyl)-N-propylcarbamate
PubChem CID115575376
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl N-(cyclopropylmethyl)-N-propylcarbamate
SMILESCCCN(CC1CC1)C(=O)OC
InChIInChI=1S/C9H17NO2/c1-3-6-10(9(11)12-2)7-8-4-5-8/h8H,3-7H2,1-2H3
InChIKeyHAUIIMFEUZCWSQ-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carbamic acid, dibutyl-, methyl ester
CID 3590545
methyl N-dipropylcarbamate
CID 19041830
methyl N-butyl-N-(methoxymethyl)carbamate
CID 139914062
2-methylpropyl N,N-dibutylcarbamate
CID 13751147
Isobutylcarbamate, N,N-dipropyl
CID 59217983
Isobutylcarbamate, N,Np-diisobutyl
CID 59217991
ethyl N,N-bis(2-methylpropyl)carbamate
CID 4390843
methyl N,N-bis(2-methylpropyl)carbamate
CID 4305991
ethyl N-ethyl-N-(3-methylbutyl)carbamate
CID 18429048
ethyl N,N-bis(3-methylbutyl)carbamate
CID 20233548
methyl N-butyl-N-propylcarbamate
CID 21721322
ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate
CID 23402887

Frequently Asked Questions

What is the IUPAC name of methyl N-(cyclopropylmethyl)-N-propylcarbamate?
The IUPAC name of methyl N-(cyclopropylmethyl)-N-propylcarbamate (CID 115575376) is methyl N-(cyclopropylmethyl)-N-propylcarbamate.
What is the SMILES notation for methyl N-(cyclopropylmethyl)-N-propylcarbamate?
The canonical SMILES for methyl N-(cyclopropylmethyl)-N-propylcarbamate is CCCN(CC1CC1)C(=O)OC.
What is the InChIKey of methyl N-(cyclopropylmethyl)-N-propylcarbamate?
The InChIKey is HAUIIMFEUZCWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-6-10(9(11)12-2)7-8-4-5-8/h8H,3-7H2,1-2H3.
What are the key properties of methyl N-(cyclopropylmethyl)-N-propylcarbamate?
methyl N-(cyclopropylmethyl)-N-propylcarbamate has a molecular weight of 171.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(cyclopropylmethyl)-N-propylcarbamate is sourced from PubChem (CID 115575376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).