methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride

C11H25ClN2O2 — CID 117068026

IUPACmethyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride
SMILESCCC(C)(C)NCCCCNC(=O)OC.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-5-11(2,3)13-9-7-6-8-12-10(14)15-4;/h13H,5-9H2,1-4H3,(H,12,14);1H
InChIKeyJFYFZJJXCCDOTF-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.32
Rot. Bonds7

About methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride

methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride (PubChem CID 117068026) has the molecular formula C11H25ClN2O2 and a molecular weight of 252.79 g/mol. Its IUPAC name is methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride
PubChem CID117068026
Molecular FormulaC11H25ClN2O2
Molecular Weight252.79 g/mol
Exact Mass252.16
IUPAC Namemethyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride
SMILESCCC(C)(C)NCCCCNC(=O)OC.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-5-11(2,3)13-9-7-6-8-12-10(14)15-4;/h13H,5-9H2,1-4H3,(H,12,14);1H
InChIKeyJFYFZJJXCCDOTF-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.32
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

methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-nonylcarbamate
CID 5102101
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl 4-(2-methylbutan-2-ylamino)butanoate
CID 43377779
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
tert-butyl N-nonylcarbamate;ethane
CID 168941348
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one
CID 89150814
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride?
The IUPAC name of methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride (CID 117068026) is methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride.
What is the SMILES notation for methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride?
The canonical SMILES for methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride is CCC(C)(C)NCCCCNC(=O)OC.Cl.
What is the InChIKey of methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride?
The InChIKey is JFYFZJJXCCDOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2.ClH/c1-5-11(2,3)13-9-7-6-8-12-10(14)15-4;/h13H,5-9H2,1-4H3,(H,12,14);1H.
What are the key properties of methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride?
methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride is sourced from PubChem (CID 117068026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).