N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine

C15H28N4 — CID 65070393

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC1CCCN(C)CC1
InChIInChI=1S/C15H28N4/c1-11(2)19-13(4)15(12(3)17-19)16-14-7-6-9-18(5)10-8-14/h11,14,16H,6-10H2,1-5H3
InChIKeyKOHBSBFWDDPQBG-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.98
Rot. Bonds3

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine (PubChem CID 65070393) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine
PubChem CID65070393
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC1CCCN(C)CC1
InChIInChI=1S/C15H28N4/c1-11(2)19-13(4)15(12(3)17-19)16-14-7-6-9-18(5)10-8-14/h11,14,16H,6-10H2,1-5H3
InChIKeyKOHBSBFWDDPQBG-UHFFFAOYSA-N
XLogP2.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine (CID 65070393) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine is Cc1nn(C(C)C)c(C)c1NC1CCCN(C)CC1.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine?
The InChIKey is KOHBSBFWDDPQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-11(2)19-13(4)15(12(3)17-19)16-14-7-6-9-18(5)10-8-14/h11,14,16H,6-10H2,1-5H3.
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine has a molecular weight of 264.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine is sourced from PubChem (CID 65070393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).