N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine

C14H26N4 — CID 65073424

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine
SMILESCc1[nH]ncc1CNC1CCCN(C(C)C)CC1
InChIInChI=1S/C14H26N4/c1-11(2)18-7-4-5-14(6-8-18)15-9-13-10-16-17-12(13)3/h10-11,14-15H,4-9H2,1-3H3,(H,16,17)
InChIKeyGIYKAADSBPLMLO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.07
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine (PubChem CID 65073424) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine
PubChem CID65073424
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine
SMILESCc1[nH]ncc1CNC1CCCN(C(C)C)CC1
InChIInChI=1S/C14H26N4/c1-11(2)18-7-4-5-14(6-8-18)15-9-13-10-16-17-12(13)3/h10-11,14-15H,4-9H2,1-3H3,(H,16,17)
InChIKeyGIYKAADSBPLMLO-UHFFFAOYSA-N
XLogP2.07
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine (CID 65073424) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine is Cc1[nH]ncc1CNC1CCCN(C(C)C)CC1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine?
The InChIKey is GIYKAADSBPLMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)18-7-4-5-14(6-8-18)15-9-13-10-16-17-12(13)3/h10-11,14-15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65073424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).