4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine

C17H31N5 — CID 142379482

IUPAC4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine
SMILESCCCCCN(CCCN)C1=C(N)C(N)NC2=C1C=CCC2
InChIInChI=1S/C17H31N5/c1-2-3-6-11-22(12-7-10-18)16-13-8-4-5-9-14(13)21-17(20)15(16)19/h4,8,17,21H,2-3,5-7,9-12,18-20H2,1H3
InChIKeyVDLKSGDMYMEUQG-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.49
Rot. Bonds8

About 4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine

4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine (PubChem CID 142379482) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine.

Molecular Properties

Compound Name4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine
PubChem CID142379482
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine
SMILESCCCCCN(CCCN)C1=C(N)C(N)NC2=C1C=CCC2
InChIInChI=1S/C17H31N5/c1-2-3-6-11-22(12-7-10-18)16-13-8-4-5-9-14(13)21-17(20)15(16)19/h4,8,17,21H,2-3,5-7,9-12,18-20H2,1H3
InChIKeyVDLKSGDMYMEUQG-UHFFFAOYSA-N
XLogP1.49
TPSA93.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine?
The IUPAC name of 4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine (CID 142379482) is 4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine.
What is the SMILES notation for 4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine?
The canonical SMILES for 4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine is CCCCCN(CCCN)C1=C(N)C(N)NC2=C1C=CCC2.
What is the InChIKey of 4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine?
The InChIKey is VDLKSGDMYMEUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-2-3-6-11-22(12-7-10-18)16-13-8-4-5-9-14(13)21-17(20)15(16)19/h4,8,17,21H,2-3,5-7,9-12,18-20H2,1H3.
What are the key properties of 4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine?
4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine has a molecular weight of 305.47 g/mol, XLogP of 1.49, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-aminopropyl)-4-N-pentyl-1,2,7,8-tetrahydroquinoline-2,3,4-triamine is sourced from PubChem (CID 142379482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).