5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine

C13H29N3 — CID 62438503

IUPAC5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-13(2)14-7-5-4-6-8-16-11-9-15(3)10-12-16/h13-14H,4-12H2,1-3H3
InChIKeyKQBHXDSCUXNRSG-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds7

About 5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine

5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine (PubChem CID 62438503) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
PubChem CID62438503
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-13(2)14-7-5-4-6-8-16-11-9-15(3)10-12-16/h13-14H,4-12H2,1-3H3
InChIKeyKQBHXDSCUXNRSG-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 171627808
N-propan-2-yl-4-thiomorpholin-4-ylbutan-1-amine
CID 60851852
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine
CID 82891726
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 54860825
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
N-methyl-5-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62418821
2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid
CID 66172084
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 55127990
5-(2-piperidin-1-ylethoxy)-N-propan-2-ylpentan-1-amine
CID 55076897
4-(4-methylpiperazin-1-yl)butylhydrazine
CID 118629290
ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine
CID 165134770
N-[6-(4-methylpiperazin-1-yl)hexyl]formamide
CID 167037670

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine (CID 62438503) is 5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCN1CCN(C)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine?
The InChIKey is KQBHXDSCUXNRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-13(2)14-7-5-4-6-8-16-11-9-15(3)10-12-16/h13-14H,4-12H2,1-3H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine?
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62438503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).