5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride

C15H25ClN4 — CID 128995369

IUPAC5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride
SMILESCl.Nc1ccc(NC2CCCN(CC3CC3)CC2)cn1
InChIInChI=1S/C15H24N4.ClH/c16-15-6-5-14(10-17-15)18-13-2-1-8-19(9-7-13)11-12-3-4-12;/h5-6,10,12-13,18H,1-4,7-9,11H2,(H2,16,17);1H
InChIKeyBLZGHRXLPGMLBM-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.76
Rot. Bonds4

About 5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride

5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride (PubChem CID 128995369) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride.

Molecular Properties

Compound Name5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride
PubChem CID128995369
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride
SMILESCl.Nc1ccc(NC2CCCN(CC3CC3)CC2)cn1
InChIInChI=1S/C15H24N4.ClH/c16-15-6-5-14(10-17-15)18-13-2-1-8-19(9-7-13)11-12-3-4-12;/h5-6,10,12-13,18H,1-4,7-9,11H2,(H2,16,17);1H
InChIKeyBLZGHRXLPGMLBM-UHFFFAOYSA-N
XLogP2.76
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride?
The IUPAC name of 5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride (CID 128995369) is 5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride.
What is the SMILES notation for 5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride?
The canonical SMILES for 5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride is Cl.Nc1ccc(NC2CCCN(CC3CC3)CC2)cn1.
What is the InChIKey of 5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride?
The InChIKey is BLZGHRXLPGMLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4.ClH/c16-15-6-5-14(10-17-15)18-13-2-1-8-19(9-7-13)11-12-3-4-12;/h5-6,10,12-13,18H,1-4,7-9,11H2,(H2,16,17);1H.
What are the key properties of 5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride?
5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride has a molecular weight of 296.85 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride is sourced from PubChem (CID 128995369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).