[5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine

C14H26N4 — CID 65283757

IUPAC[5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CCCC(C)(C)CC2)c1CN
InChIInChI=1S/C14H26N4/c1-11-12(10-15)13(17(4)16-11)18-8-5-6-14(2,3)7-9-18/h5-10,15H2,1-4H3
InChIKeyPMGBRBMNOQMNCM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.20
Rot. Bonds2

About [5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine

[5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine (PubChem CID 65283757) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is [5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
PubChem CID65283757
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name[5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CCCC(C)(C)CC2)c1CN
InChIInChI=1S/C14H26N4/c1-11-12(10-15)13(17(4)16-11)18-8-5-6-14(2,3)7-9-18/h5-10,15H2,1-4H3
InChIKeyPMGBRBMNOQMNCM-UHFFFAOYSA-N
XLogP2.20
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine (CID 65283757) is [5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine is Cc1nn(C)c(N2CCCC(C)(C)CC2)c1CN.
What is the InChIKey of [5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The InChIKey is PMGBRBMNOQMNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11-12(10-15)13(17(4)16-11)18-8-5-6-14(2,3)7-9-18/h5-10,15H2,1-4H3.
What are the key properties of [5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
[5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 65283757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).