ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane

C30H68N2 — CID 145152022

IUPACethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane
SMILESC=C(C)C(CC)NCC(CC)CCCC.C=CNCCCC.CC.CCC.CCCCC
InChIInChI=1S/C14H29N.C6H13N.C5H12.C3H8.C2H6/c1-6-9-10-13(7-2)11-15-14(8-3)12(4)5;1-3-5-6-7-4-2;1-3-5-4-2;1-3-2;1-2/h13-15H,4,6-11H2,1-3,5H3;4,7H,2-3,5-6H2,1H3;3-5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyTTYKAUBYEDZHRB-UHFFFAOYSA-N
MW456.89 g/mol
LogP10.31
Rot. Bonds15

About ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane

ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane (PubChem CID 145152022) has the molecular formula C30H68N2 and a molecular weight of 456.89 g/mol. Its IUPAC name is ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane.

Molecular Properties

Compound Nameethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane
PubChem CID145152022
Molecular FormulaC30H68N2
Molecular Weight456.89 g/mol
Exact Mass456.54
IUPAC Nameethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane
SMILESC=C(C)C(CC)NCC(CC)CCCC.C=CNCCCC.CC.CCC.CCCCC
InChIInChI=1S/C14H29N.C6H13N.C5H12.C3H8.C2H6/c1-6-9-10-13(7-2)11-15-14(8-3)12(4)5;1-3-5-6-7-4-2;1-3-5-4-2;1-3-2;1-2/h13-15H,4,6-11H2,1-3,5H3;4,7H,2-3,5-6H2,1H3;3-5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyTTYKAUBYEDZHRB-UHFFFAOYSA-N
XLogP10.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.89
LogP ≤ 510.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane?
The IUPAC name of ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane (CID 145152022) is ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane.
What is the SMILES notation for ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane?
The canonical SMILES for ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane is C=C(C)C(CC)NCC(CC)CCCC.C=CNCCCC.CC.CCC.CCCCC.
What is the InChIKey of ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane?
The InChIKey is TTYKAUBYEDZHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.C6H13N.C5H12.C3H8.C2H6/c1-6-9-10-13(7-2)11-15-14(8-3)12(4)5;1-3-5-6-7-4-2;1-3-5-4-2;1-3-2;1-2/h13-15H,4,6-11H2,1-3,5H3;4,7H,2-3,5-6H2,1H3;3-5H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane?
ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane has a molecular weight of 456.89 g/mol, XLogP of 10.31, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenylbutan-1-amine;2-ethyl-N-(2-methylpent-1-en-3-yl)hexan-1-amine;pentane;propane is sourced from PubChem (CID 145152022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).