6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine

C20H43N3 — CID 174636364

IUPAC6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine
SMILESCCCCCCC(CCCCCN)C(CC)N1CCN(C)CC1
InChIInChI=1S/C20H43N3/c1-4-6-7-9-12-19(13-10-8-11-14-21)20(5-2)23-17-15-22(3)16-18-23/h19-20H,4-18,21H2,1-3H3
InChIKeyNAJWVQWZYHHNCU-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.12
Rot. Bonds13

About 6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine

6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine (PubChem CID 174636364) has the molecular formula C20H43N3 and a molecular weight of 325.59 g/mol. Its IUPAC name is 6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine.

Molecular Properties

Compound Name6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine
PubChem CID174636364
Molecular FormulaC20H43N3
Molecular Weight325.59 g/mol
Exact Mass325.35
IUPAC Name6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine
SMILESCCCCCCC(CCCCCN)C(CC)N1CCN(C)CC1
InChIInChI=1S/C20H43N3/c1-4-6-7-9-12-19(13-10-8-11-14-21)20(5-2)23-17-15-22(3)16-18-23/h19-20H,4-18,21H2,1-3H3
InChIKeyNAJWVQWZYHHNCU-UHFFFAOYSA-N
XLogP4.12
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.12
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

9,10-dioctylhenicosan-1-amine
CID 123803716
1-(4-methylpiperazin-1-yl)hexan-1-ol
CID 68991789
1-methylpiperidine;pentan-1-amine;hydrate
CID 175112492
decan-1-amine;tetrakis(hexane);hydroiodide
CID 173346664
hexadecan-1-amine;hydroiodide
CID 173125534
9-nonylheptacosane-1,10-diamine;dihydrofluoride
CID 174769166
octadecane-1,5-diamine
CID 154229011
nonadecane-1,13-diamine
CID 102135569
undecane-1,6-diamine
CID 18419788
5-hexyldodecan-1-amine
CID 129015386
2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
CID 62772459
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine?
The IUPAC name of 6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine (CID 174636364) is 6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine.
What is the SMILES notation for 6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine?
The canonical SMILES for 6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine is CCCCCCC(CCCCCN)C(CC)N1CCN(C)CC1.
What is the InChIKey of 6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine?
The InChIKey is NAJWVQWZYHHNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N3/c1-4-6-7-9-12-19(13-10-8-11-14-21)20(5-2)23-17-15-22(3)16-18-23/h19-20H,4-18,21H2,1-3H3.
What are the key properties of 6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine?
6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine has a molecular weight of 325.59 g/mol, XLogP of 4.12, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-methylpiperazin-1-yl)propyl]dodecan-1-amine is sourced from PubChem (CID 174636364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).