ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal

C30H68N4O2 — CID 166554627

IUPACethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal
SMILESCC.CC(C)NCCCCC=O.CCCCCNC.CCNCCCCCC(=O)NCCCC(C)C
InChIInChI=1S/C14H30N2O.C8H17NO.C6H15N.C2H6/c1-4-15-11-7-5-6-10-14(17)16-12-8-9-13(2)3;1-8(2)9-6-4-3-5-7-10;1-3-4-5-6-7-2;1-2/h13,15H,4-12H2,1-3H3,(H,16,17);7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1-2H3
InChIKeyGOWAVSYJAPMDOM-UHFFFAOYSA-N
MW516.90 g/mol
LogP6.48
Rot. Bonds21

About ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal

ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal (PubChem CID 166554627) has the molecular formula C30H68N4O2 and a molecular weight of 516.90 g/mol. Its IUPAC name is ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal.

Molecular Properties

Compound Nameethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal
PubChem CID166554627
Molecular FormulaC30H68N4O2
Molecular Weight516.90 g/mol
Exact Mass516.53
IUPAC Nameethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal
SMILESCC.CC(C)NCCCCC=O.CCCCCNC.CCNCCCCCC(=O)NCCCC(C)C
InChIInChI=1S/C14H30N2O.C8H17NO.C6H15N.C2H6/c1-4-15-11-7-5-6-10-14(17)16-12-8-9-13(2)3;1-8(2)9-6-4-3-5-7-10;1-3-4-5-6-7-2;1-2/h13,15H,4-12H2,1-3H3,(H,16,17);7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1-2H3
InChIKeyGOWAVSYJAPMDOM-UHFFFAOYSA-N
XLogP6.48
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.90
LogP ≤ 56.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal 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;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal?
The IUPAC name of ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal (CID 166554627) is ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal.
What is the SMILES notation for ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal?
The canonical SMILES for ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal is CC.CC(C)NCCCCC=O.CCCCCNC.CCNCCCCCC(=O)NCCCC(C)C.
What is the InChIKey of ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal?
The InChIKey is GOWAVSYJAPMDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O.C8H17NO.C6H15N.C2H6/c1-4-15-11-7-5-6-10-14(17)16-12-8-9-13(2)3;1-8(2)9-6-4-3-5-7-10;1-3-4-5-6-7-2;1-2/h13,15H,4-12H2,1-3H3,(H,16,17);7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal?
ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal has a molecular weight of 516.90 g/mol, XLogP of 6.48, 21 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal is sourced from PubChem (CID 166554627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).