(3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate

C13H23N3O2 — CID 175520912

IUPAC(3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate
SMILESCCCCC(OC(N)=O)(n1ccnc1)C(C)(C)C
InChIInChI=1S/C13H23N3O2/c1-5-6-7-13(12(2,3)4,18-11(14)17)16-9-8-15-10-16/h8-10H,5-7H2,1-4H3,(H2,14,17)
InChIKeySRXACXYLJYOUOS-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.87
Rot. Bonds5

About (3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate

(3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate (PubChem CID 175520912) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate.

Molecular Properties

Compound Name(3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate
PubChem CID175520912
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate
SMILESCCCCC(OC(N)=O)(n1ccnc1)C(C)(C)C
InChIInChI=1S/C13H23N3O2/c1-5-6-7-13(12(2,3)4,18-11(14)17)16-9-8-15-10-16/h8-10H,5-7H2,1-4H3,(H2,14,17)
InChIKeySRXACXYLJYOUOS-UHFFFAOYSA-N
XLogP2.87
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174761890
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CID 87316839
1-(2-methylundecan-2-yl)imidazole
CID 151900805
1-(4-ethyloctan-4-yl)imidazole
CID 57179751
(2-butyl-2-carbamoyloxyhexyl)-trimethylazanium chloride
CID 160770962
imidazol-1-yl tetradecanoate
CID 175546759
imidazol-1-yl hexanoate;iron
CID 175419360
imidazol-1-yl heptanoate
CID 175410491
2-methyloct-3-yn-2-yl imidazole-1-carboxylate
CID 118331465
2-imidazol-1-yl-2-phenylpentanoic acid
CID 114994268
3-imidazol-1-yl-3-methylbutanoic acid
CID 84653037

Frequently Asked Questions

What is the IUPAC name of (3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate?
The IUPAC name of (3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate (CID 175520912) is (3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate.
What is the SMILES notation for (3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate?
The canonical SMILES for (3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate is CCCCC(OC(N)=O)(n1ccnc1)C(C)(C)C.
What is the InChIKey of (3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate?
The InChIKey is SRXACXYLJYOUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-6-7-13(12(2,3)4,18-11(14)17)16-9-8-15-10-16/h8-10H,5-7H2,1-4H3,(H2,14,17).
What are the key properties of (3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate?
(3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate has a molecular weight of 253.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate is sourced from PubChem (CID 175520912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).