N'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide

C16H36N4O — CID 123555051

IUPACN'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide
SMILESCCCCCC(=O)N(CCC)NCCCCNCCCN
InChIInChI=1S/C16H36N4O/c1-3-5-6-10-16(21)20(15-4-2)19-14-8-7-12-18-13-9-11-17/h18-19H,3-15,17H2,1-2H3
InChIKeyUJSJAVOSMVIBLA-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.03
Rot. Bonds15

About N'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide

N'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide (PubChem CID 123555051) has the molecular formula C16H36N4O and a molecular weight of 300.49 g/mol. Its IUPAC name is N'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide.

Molecular Properties

Compound NameN'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide
PubChem CID123555051
Molecular FormulaC16H36N4O
Molecular Weight300.49 g/mol
Exact Mass300.29
IUPAC NameN'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide
SMILESCCCCCC(=O)N(CCC)NCCCCNCCCN
InChIInChI=1S/C16H36N4O/c1-3-5-6-10-16(21)20(15-4-2)19-14-8-7-12-18-13-9-11-17/h18-19H,3-15,17H2,1-2H3
InChIKeyUJSJAVOSMVIBLA-UHFFFAOYSA-N
XLogP2.03
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-didecyl-8-(octylamino)octanamide
CID 172581253
N'-[3-(dimethylamino)propyl]propane-1,3-diamine;octadecanoic acid
CID 172710538
dodecyl 6-(5-aminopentylamino)hexanoate
CID 58105631
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N,N-bis(2-aminoethylamino)octadecanamide
CID 87548710
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine
CID 174830019
6-(decylamino)hexanamide
CID 13292350
12-(hexylamino)dodecanamide
CID 174861179
(5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one
CID 58260284
N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine
CID 175374912

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide?
The IUPAC name of N'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide (CID 123555051) is N'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide.
What is the SMILES notation for N'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide?
The canonical SMILES for N'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide is CCCCCC(=O)N(CCC)NCCCCNCCCN.
What is the InChIKey of N'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide?
The InChIKey is UJSJAVOSMVIBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4O/c1-3-5-6-10-16(21)20(15-4-2)19-14-8-7-12-18-13-9-11-17/h18-19H,3-15,17H2,1-2H3.
What are the key properties of N'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide?
N'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide has a molecular weight of 300.49 g/mol, XLogP of 2.03, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-aminopropylamino)butyl]-N-propylhexanehydrazide is sourced from PubChem (CID 123555051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).