ethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine

C21H49N3 — CID 142360041

IUPACethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine
SMILESC=NN(CC(C)(CC)CC)/C(=C\C)CCCCC.CC.CC.CN
InChIInChI=1S/C16H32N2.2C2H6.CH5N/c1-7-11-12-13-15(8-2)18(17-6)14-16(5,9-3)10-4;3*1-2/h8H,6-7,9-14H2,1-5H3;2*1-2H3;2H2,1H3/b15-8-;;;
InChIKeyZALZUDLYFLHNSF-NJGHBKGJSA-N
MW343.64 g/mol
LogP6.84
Rot. Bonds10

About ethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine

ethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine (PubChem CID 142360041) has the molecular formula C21H49N3 and a molecular weight of 343.64 g/mol. Its IUPAC name is ethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine.

Molecular Properties

Compound Nameethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine
PubChem CID142360041
Molecular FormulaC21H49N3
Molecular Weight343.64 g/mol
Exact Mass343.39
IUPAC Nameethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine
SMILESC=NN(CC(C)(CC)CC)/C(=C\C)CCCCC.CC.CC.CN
InChIInChI=1S/C16H32N2.2C2H6.CH5N/c1-7-11-12-13-15(8-2)18(17-6)14-16(5,9-3)10-4;3*1-2/h8H,6-7,9-14H2,1-5H3;2*1-2H3;2H2,1H3/b15-8-;;;
InChIKeyZALZUDLYFLHNSF-NJGHBKGJSA-N
XLogP6.84
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.64
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine?
The IUPAC name of ethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine (CID 142360041) is ethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine.
What is the SMILES notation for ethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine?
The canonical SMILES for ethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine is C=NN(CC(C)(CC)CC)/C(=C\C)CCCCC.CC.CC.CN.
What is the InChIKey of ethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine?
The InChIKey is ZALZUDLYFLHNSF-NJGHBKGJSA-N. The full InChI is InChI=1S/C16H32N2.2C2H6.CH5N/c1-7-11-12-13-15(8-2)18(17-6)14-16(5,9-3)10-4;3*1-2/h8H,6-7,9-14H2,1-5H3;2*1-2H3;2H2,1H3/b15-8-;;;.
What are the key properties of ethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine?
ethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine has a molecular weight of 343.64 g/mol, XLogP of 6.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine;methanamine is sourced from PubChem (CID 142360041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).