1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C14H24N4 — CID 64548695

IUPAC1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC12CCC(C1)C(C)(C)C2NCCc1ncn[nH]1
InChIInChI=1S/C14H24N4/c1-13(2)10-4-6-14(3,8-10)12(13)15-7-5-11-16-9-17-18-11/h9-10,12,15H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyWCUJXPSFVOWNKT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds4

About 1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 64548695) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID64548695
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC12CCC(C1)C(C)(C)C2NCCc1ncn[nH]1
InChIInChI=1S/C14H24N4/c1-13(2)10-4-6-14(3,8-10)12(13)15-7-5-11-16-9-17-18-11/h9-10,12,15H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyWCUJXPSFVOWNKT-UHFFFAOYSA-N
XLogP2.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 114183303
2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine
CID 81321368
(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103005369
(1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 115400183
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine
CID 64545973
(1R,4S)-N-(2-methoxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400162
4,4-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thian-3-amine
CID 79948119
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine
CID 130554368
4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol
CID 115400849
(1R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 113302658
(1R,4S)-1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 115400230
(1R,4S)-N-[(3,4-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400732

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 64548695) is 1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is CC12CCC(C1)C(C)(C)C2NCCc1ncn[nH]1.
What is the InChIKey of 1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is WCUJXPSFVOWNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-13(2)10-4-6-14(3,8-10)12(13)15-7-5-11-16-9-17-18-11/h9-10,12,15H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 64548695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).