1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine

C13H24N4 — CID 164629936

IUPAC1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCn1ncnc1CNC[C@H]1CC1(CC)CC
InChIInChI=1S/C13H24N4/c1-4-13(5-2)7-11(13)8-14-9-12-15-10-16-17(12)6-3/h10-11,14H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyIEFCBUAELAJORN-LLVKDONJSA-N
MW236.36 g/mol
LogP2.21
Rot. Bonds7

About 1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine

1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 164629936) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID164629936
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCn1ncnc1CNC[C@H]1CC1(CC)CC
InChIInChI=1S/C13H24N4/c1-4-13(5-2)7-11(13)8-14-9-12-15-10-16-17(12)6-3/h10-11,14H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyIEFCBUAELAJORN-LLVKDONJSA-N
XLogP2.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 164629936) is 1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine is CCn1ncnc1CNC[C@H]1CC1(CC)CC.
What is the InChIKey of 1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is IEFCBUAELAJORN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-13(5-2)7-11(13)8-14-9-12-15-10-16-17(12)6-3/h10-11,14H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 164629936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).