N,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide

C14H28N2O — CID 137385767

IUPACN,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide
SMILESCCCCC(C)(CC)C1CN(C(=O)N(C)C)C1
InChIInChI=1S/C14H28N2O/c1-6-8-9-14(3,7-2)12-10-16(11-12)13(17)15(4)5/h12H,6-11H2,1-5H3
InChIKeyHAIVDUPRXPLZBQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.21
Rot. Bonds5

About N,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide

N,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide (PubChem CID 137385767) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide
PubChem CID137385767
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide
SMILESCCCCC(C)(CC)C1CN(C(=O)N(C)C)C1
InChIInChI=1S/C14H28N2O/c1-6-8-9-14(3,7-2)12-10-16(11-12)13(17)15(4)5/h12H,6-11H2,1-5H3
InChIKeyHAIVDUPRXPLZBQ-UHFFFAOYSA-N
XLogP3.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide (CID 137385767) is N,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide is CCCCC(C)(CC)C1CN(C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide?
The InChIKey is HAIVDUPRXPLZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-8-9-14(3,7-2)12-10-16(11-12)13(17)15(4)5/h12H,6-11H2,1-5H3.
What are the key properties of N,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide?
N,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-methylheptan-3-yl)azetidine-1-carboxamide is sourced from PubChem (CID 137385767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).