1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine

C14H26N4 — CID 112744541

IUPAC1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCNC(c1ncnn1C(C)C)C1CCCCCC1
InChIInChI=1S/C14H26N4/c1-11(2)18-14(16-10-17-18)13(15-3)12-8-6-4-5-7-9-12/h10-13,15H,4-9H2,1-3H3
InChIKeyPGRMDEKYOIZKSF-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.09
Rot. Bonds4

About 1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine

1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 112744541) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID112744541
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCNC(c1ncnn1C(C)C)C1CCCCCC1
InChIInChI=1S/C14H26N4/c1-11(2)18-14(16-10-17-18)13(15-3)12-8-6-4-5-7-9-12/h10-13,15H,4-9H2,1-3H3
InChIKeyPGRMDEKYOIZKSF-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of 1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine (CID 112744541) is 1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for 1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine is CNC(c1ncnn1C(C)C)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is PGRMDEKYOIZKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)18-14(16-10-17-18)13(15-3)12-8-6-4-5-7-9-12/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 250.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 112744541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).