N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine

C16H35N3 — CID 63611239

IUPACN-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
SMILESCCCNC(C)CCCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C16H35N3/c1-6-10-17-15(2)9-7-8-11-19-13-12-18(5)16(3,4)14-19/h15,17H,6-14H2,1-5H3
InChIKeyIODBUYPABQVRKL-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds8

About N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine

N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine (PubChem CID 63611239) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine.

Molecular Properties

Compound NameN-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
PubChem CID63611239
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
SMILESCCCNC(C)CCCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C16H35N3/c1-6-10-17-15(2)9-7-8-11-19-13-12-18(5)16(3,4)14-19/h15,17H,6-14H2,1-5H3
InChIKeyIODBUYPABQVRKL-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.57
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-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine?
The IUPAC name of N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine (CID 63611239) is N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine.
What is the SMILES notation for N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine?
The canonical SMILES for N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine is CCCNC(C)CCCCN1CCN(C)C(C)(C)C1.
What is the InChIKey of N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine?
The InChIKey is IODBUYPABQVRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-10-17-15(2)9-7-8-11-19-13-12-18(5)16(3,4)14-19/h15,17H,6-14H2,1-5H3.
What are the key properties of N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine?
N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine is sourced from PubChem (CID 63611239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).