N,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine

C13H29N3 — CID 64954547

IUPACN,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine
SMILESCCCC1CN(CCCCN(C)C)CCN1
InChIInChI=1S/C13H29N3/c1-4-7-13-12-16(11-8-14-13)10-6-5-9-15(2)3/h13-14H,4-12H2,1-3H3
InChIKeyMWOVKRCKQFZZDN-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds7

About N,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine

N,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine (PubChem CID 64954547) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine
PubChem CID64954547
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine
SMILESCCCC1CN(CCCCN(C)C)CCN1
InChIInChI=1S/C13H29N3/c1-4-7-13-12-16(11-8-14-13)10-6-5-9-15(2)3/h13-14H,4-12H2,1-3H3
InChIKeyMWOVKRCKQFZZDN-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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine?
The IUPAC name of N,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine (CID 64954547) is N,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine is CCCC1CN(CCCCN(C)C)CCN1.
What is the InChIKey of N,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine?
The InChIKey is MWOVKRCKQFZZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-7-13-12-16(11-8-14-13)10-6-5-9-15(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine?
N,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-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 N,N-dimethyl-4-(3-propylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 64954547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).