methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane

C12H26N2O2 — CID 144506375

IUPACmethyl N-[2-(butylamino)prop-2-enyl]carbamate;propane
SMILESC=C(CNC(=O)OC)NCCCC.CCC
InChIInChI=1S/C9H18N2O2.C3H8/c1-4-5-6-10-8(2)7-11-9(12)13-3;1-3-2/h10H,2,4-7H2,1,3H3,(H,11,12);3H2,1-2H3
InChIKeyFXSZBWHCVVQOGD-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.66
Rot. Bonds6

About methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane

methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane (PubChem CID 144506375) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane.

Molecular Properties

Compound Namemethyl N-[2-(butylamino)prop-2-enyl]carbamate;propane
PubChem CID144506375
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Namemethyl N-[2-(butylamino)prop-2-enyl]carbamate;propane
SMILESC=C(CNC(=O)OC)NCCCC.CCC
InChIInChI=1S/C9H18N2O2.C3H8/c1-4-5-6-10-8(2)7-11-9(12)13-3;1-3-2/h10H,2,4-7H2,1,3H3,(H,11,12);3H2,1-2H3
InChIKeyFXSZBWHCVVQOGD-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.66
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

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CID 5102101
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
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CID 54285968
N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
N-butylhept-1-en-2-amine
CID 170620308
tert-butyl N-butylcarbamate;methane
CID 153346289
N-butyl-1-phosphanylformamide
CID 89204579
N-(1-phosphanylethenyl)butan-1-amine
CID 170236223
phosphanyl N-butylcarbamate
CID 89204581
methanamine;methyl N-(2-amino-2-oxoethyl)carbamate;propane
CID 144526153
aminomethyl N-butylcarbamate
CID 139491046
methyl N-[2-[bis[2-(butylcarbamoyloxy)ethyl]amino]ethyl]carbamate;hydrochloride
CID 88513482

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane?
The IUPAC name of methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane (CID 144506375) is methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane.
What is the SMILES notation for methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane?
The canonical SMILES for methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane is C=C(CNC(=O)OC)NCCCC.CCC.
What is the InChIKey of methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane?
The InChIKey is FXSZBWHCVVQOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C3H8/c1-4-5-6-10-8(2)7-11-9(12)13-3;1-3-2/h10H,2,4-7H2,1,3H3,(H,11,12);3H2,1-2H3.
What are the key properties of methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane?
methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane has a molecular weight of 230.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane is sourced from PubChem (CID 144506375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).