4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride

C15H31Cl2N3O — CID 120565731

IUPAC4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride
SMILESCC(N)CCC(=O)N1CCCC(N2CCCC2)CC1.Cl.Cl
InChIInChI=1S/C15H29N3O.2ClH/c1-13(16)6-7-15(19)18-11-4-5-14(8-12-18)17-9-2-3-10-17;;/h13-14H,2-12,16H2,1H3;2*1H
InChIKeyKWTBLNWRQNMKKI-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.43
Rot. Bonds4

About 4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride

4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride (PubChem CID 120565731) has the molecular formula C15H31Cl2N3O and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride
PubChem CID120565731
Molecular FormulaC15H31Cl2N3O
Molecular Weight340.34 g/mol
Exact Mass339.18
IUPAC Name4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride
SMILESCC(N)CCC(=O)N1CCCC(N2CCCC2)CC1.Cl.Cl
InChIInChI=1S/C15H29N3O.2ClH/c1-13(16)6-7-15(19)18-11-4-5-14(8-12-18)17-9-2-3-10-17;;/h13-14H,2-12,16H2,1H3;2*1H
InChIKeyKWTBLNWRQNMKKI-UHFFFAOYSA-N
XLogP2.43
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one
CID 120565746
1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 120562628
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
3-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butan-1-one
CID 63151719
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120562620
8-amino-1-[4-(1-azacyclohept-4-yn-1-yl)piperidin-1-yl]nonan-1-one
CID 167071443
1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride
CID 120561009
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
CID 120562621

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride (CID 120565731) is 4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride is CC(N)CCC(=O)N1CCCC(N2CCCC2)CC1.Cl.Cl.
What is the InChIKey of 4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride?
The InChIKey is KWTBLNWRQNMKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.2ClH/c1-13(16)6-7-15(19)18-11-4-5-14(8-12-18)17-9-2-3-10-17;;/h13-14H,2-12,16H2,1H3;2*1H.
What are the key properties of 4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride?
4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride has a molecular weight of 340.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride is sourced from PubChem (CID 120565731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).