tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine

C15H32Cl2N2O2 — CID 159883032

IUPACtert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine
SMILESCC(C)(CCCl)NC(=O)OC(C)(C)C.CC(C)(N)CCCl
InChIInChI=1S/C10H20ClNO2.C5H12ClN/c1-9(2,3)14-8(13)12-10(4,5)6-7-11;1-5(2,7)3-4-6/h6-7H2,1-5H3,(H,12,13);3-4,7H2,1-2H3
InChIKeyNTTSKDPYCNKMOT-UHFFFAOYSA-N
MW343.34 g/mol
LogP4.27
Rot. Bonds5

About tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine

tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine (PubChem CID 159883032) has the molecular formula C15H32Cl2N2O2 and a molecular weight of 343.34 g/mol. Its IUPAC name is tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine.

Molecular Properties

Compound Nametert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine
PubChem CID159883032
Molecular FormulaC15H32Cl2N2O2
Molecular Weight343.34 g/mol
Exact Mass342.18
IUPAC Nametert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine
SMILESCC(C)(CCCl)NC(=O)OC(C)(C)C.CC(C)(N)CCCl
InChIInChI=1S/C10H20ClNO2.C5H12ClN/c1-9(2,3)14-8(13)12-10(4,5)6-7-11;1-5(2,7)3-4-6/h6-7H2,1-5H3,(H,12,13);3-4,7H2,1-2H3
InChIKeyNTTSKDPYCNKMOT-UHFFFAOYSA-N
XLogP4.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 71907535
4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 102113261
tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901
tert-butyl N-(2-methyl-4-prop-2-ynoxybutan-2-yl)carbamate
CID 138727508
methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 88646273
tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate
CID 11369088
tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate
CID 111757731
2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 123216246
methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate
CID 15384249
tert-butyl N-[(2R)-1-amino-2-methylpentan-2-yl]carbamate
CID 129411644
tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate
CID 151269852

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine?
The IUPAC name of tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine (CID 159883032) is tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine.
What is the SMILES notation for tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine?
The canonical SMILES for tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine is CC(C)(CCCl)NC(=O)OC(C)(C)C.CC(C)(N)CCCl.
What is the InChIKey of tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine?
The InChIKey is NTTSKDPYCNKMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2.C5H12ClN/c1-9(2,3)14-8(13)12-10(4,5)6-7-11;1-5(2,7)3-4-6/h6-7H2,1-5H3,(H,12,13);3-4,7H2,1-2H3.
What are the key properties of tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine?
tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine has a molecular weight of 343.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine is sourced from PubChem (CID 159883032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).