ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine

C18H43N3 — CID 145225904

IUPACethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine
SMILESCC.CC.CCCC/C(=C/NN)NCCCCCC(C)C
InChIInChI=1S/C14H31N3.2C2H6/c1-4-5-10-14(12-17-15)16-11-8-6-7-9-13(2)3;2*1-2/h12-13,16-17H,4-11,15H2,1-3H3;2*1-2H3/b14-12-;;
InChIKeyLHQXFJANZJCIEQ-NEKXZPCZSA-N
MW301.56 g/mol
LogP5.34
Rot. Bonds11

About ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine

ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine (PubChem CID 145225904) has the molecular formula C18H43N3 and a molecular weight of 301.56 g/mol. Its IUPAC name is ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine.

Molecular Properties

Compound Nameethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine
PubChem CID145225904
Molecular FormulaC18H43N3
Molecular Weight301.56 g/mol
Exact Mass301.35
IUPAC Nameethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine
SMILESCC.CC.CCCC/C(=C/NN)NCCCCCC(C)C
InChIInChI=1S/C14H31N3.2C2H6/c1-4-5-10-14(12-17-15)16-11-8-6-7-9-13(2)3;2*1-2/h12-13,16-17H,4-11,15H2,1-3H3;2*1-2H3/b14-12-;;
InChIKeyLHQXFJANZJCIEQ-NEKXZPCZSA-N
XLogP5.34
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.56
LogP ≤ 55.34
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

4-Hexyl-3-(3-methylbutyl)-1,2-dihydrotriazole
CID 68364198
4-(3-Methylbutyl)-3-(5-methylhexyl)-1,2-dihydrotriazole
CID 70976394
N-hept-1-en-2-yl-8-methylnonan-1-amine
CID 130335373
N'-(5-methylhex-1-en-2-yl)-N-(7-methyloct-1-en-2-yl)propane-1,3-diamine
CID 132219481
(Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine
CID 134358830
7-methyl-N-(6-methylheptyl)oct-1-en-2-amine
CID 134386754
(Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine
CID 134391079
N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine
CID 138726926
ethane;(Z)-N-hexyl-2-hydrazinylhept-1-en-1-amine
CID 143906999
ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]octan-1-amine
CID 144029143
methane;3-methyl-1,5-bis(5-methylhexyl)-3,4-dihydro-2H-1,2,4-triazine
CID 144029146
ethane;N-[(Z)-2-hydrazinylpent-1-enyl]heptan-1-amine
CID 144332501

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine?
The IUPAC name of ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine (CID 145225904) is ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine.
What is the SMILES notation for ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine?
The canonical SMILES for ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine is CC.CC.CCCC/C(=C/NN)NCCCCCC(C)C.
What is the InChIKey of ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine?
The InChIKey is LHQXFJANZJCIEQ-NEKXZPCZSA-N. The full InChI is InChI=1S/C14H31N3.2C2H6/c1-4-5-10-14(12-17-15)16-11-8-6-7-9-13(2)3;2*1-2/h12-13,16-17H,4-11,15H2,1-3H3;2*1-2H3/b14-12-;;.
What are the key properties of ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine?
ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine has a molecular weight of 301.56 g/mol, XLogP of 5.34, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-1-hydrazinylhex-1-en-2-yl]-6-methylheptan-1-amine is sourced from PubChem (CID 145225904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).