ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine

C17H41N3 — CID 143906999

IUPACethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine
SMILESCC.CC.CCCCCCN/C=C(/CCCCC)NN
InChIInChI=1S/C13H29N3.2C2H6/c1-3-5-7-9-11-15-12-13(16-14)10-8-6-4-2;2*1-2/h12,15-16H,3-11,14H2,1-2H3;2*1-2H3/b13-12-;;
InChIKeyIHHKTYVQEXMMLT-RWYDNECBSA-N
MW287.54 g/mol
LogP5.09
Rot. Bonds11

About ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine

ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine (PubChem CID 143906999) has the molecular formula C17H41N3 and a molecular weight of 287.54 g/mol. Its IUPAC name is ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine
PubChem CID143906999
Molecular FormulaC17H41N3
Molecular Weight287.54 g/mol
Exact Mass287.33
IUPAC Nameethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine
SMILESCC.CC.CCCCCCN/C=C(/CCCCC)NN
InChIInChI=1S/C13H29N3.2C2H6/c1-3-5-7-9-11-15-12-13(16-14)10-8-6-4-2;2*1-2/h12,15-16H,3-11,14H2,1-2H3;2*1-2H3/b13-12-;;
InChIKeyIHHKTYVQEXMMLT-RWYDNECBSA-N
XLogP5.09
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.54
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dibutyl-1,2-dihydrotriazole
CID 68028256
5-Butyl-3-hexyl-1,2-dihydrotriazole
CID 68028257
3,5-Dipentyl-1,2-dihydrotriazole
CID 68028258
3-Ethyl-5-pentyl-1,2-dihydrotriazole
CID 68028398
5-Ethyl-3-pentyl-1,2-dihydrotriazole
CID 68028399
5-Butyl-3-propyl-1,2-dihydrotriazole
CID 68028400
3-Ethyl-4-hexyl-1,2-dihydrotriazole
CID 68364119
3-Ethyl-5-hexyl-1,2-dihydrotriazole
CID 69926514
4-Butyl-3-pentyl-1,2-dihydrotriazole
CID 69927014
4-Butyl-3-propyl-1,2-dihydrotriazole
CID 69927017
4-Butyl-3-heptyl-1,2-dihydrotriazole
CID 69927245
3-Pentyl-4-propyl-1,2-dihydrotriazole
CID 69927267

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine?
The IUPAC name of ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine (CID 143906999) is ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine?
The canonical SMILES for ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine is CC.CC.CCCCCCN/C=C(/CCCCC)NN.
What is the InChIKey of ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine?
The InChIKey is IHHKTYVQEXMMLT-RWYDNECBSA-N. The full InChI is InChI=1S/C13H29N3.2C2H6/c1-3-5-7-9-11-15-12-13(16-14)10-8-6-4-2;2*1-2/h12,15-16H,3-11,14H2,1-2H3;2*1-2H3/b13-12-;;.
What are the key properties of ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine?
ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine has a molecular weight of 287.54 g/mol, XLogP of 5.09, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine is sourced from PubChem (CID 143906999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).