4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine

C14H26N4 — CID 65088048

IUPAC4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine
SMILESCn1cnnc1CCNC1CCCC(C)(C)CC1
InChIInChI=1S/C14H26N4/c1-14(2)8-4-5-12(6-9-14)15-10-7-13-17-16-11-18(13)3/h11-12,15H,4-10H2,1-3H3
InChIKeyQSFNGPSGICSBNV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.31
Rot. Bonds4

About 4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine

4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine (PubChem CID 65088048) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine
PubChem CID65088048
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine
SMILESCn1cnnc1CCNC1CCCC(C)(C)CC1
InChIInChI=1S/C14H26N4/c1-14(2)8-4-5-12(6-9-14)15-10-7-13-17-16-11-18(13)3/h11-12,15H,4-10H2,1-3H3
InChIKeyQSFNGPSGICSBNV-UHFFFAOYSA-N
XLogP2.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine (CID 65088048) is 4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine is Cn1cnnc1CCNC1CCCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine?
The InChIKey is QSFNGPSGICSBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2)8-4-5-12(6-9-14)15-10-7-13-17-16-11-18(13)3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine?
4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 65088048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).