N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine

C16H26N4 — CID 155261068

IUPACN,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine
SMILESCC1CCC(n2cc(C34CC(N(C)C)(C3)C4)nn2)CC1
InChIInChI=1S/C16H26N4/c1-12-4-6-13(7-5-12)20-8-14(17-18-20)15-9-16(10-15,11-15)19(2)3/h8,12-13H,4-7,9-11H2,1-3H3
InChIKeyDXNNCBMDSSOLLB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds3

About N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine

N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine (PubChem CID 155261068) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine
PubChem CID155261068
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine
SMILESCC1CCC(n2cc(C34CC(N(C)C)(C3)C4)nn2)CC1
InChIInChI=1S/C16H26N4/c1-12-4-6-13(7-5-12)20-8-14(17-18-20)15-9-16(10-15,11-15)19(2)3/h8,12-13H,4-7,9-11H2,1-3H3
InChIKeyDXNNCBMDSSOLLB-UHFFFAOYSA-N
XLogP2.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine (CID 155261068) is N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine is CC1CCC(n2cc(C34CC(N(C)C)(C3)C4)nn2)CC1.
What is the InChIKey of N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine?
The InChIKey is DXNNCBMDSSOLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-12-4-6-13(7-5-12)20-8-14(17-18-20)15-9-16(10-15,11-15)19(2)3/h8,12-13H,4-7,9-11H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine?
N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 155261068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).