N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide

C14H26N2O — CID 155696813

IUPACN-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide
SMILESC=CCCC(=C)N(C)CCCCCCNC=O
InChIInChI=1S/C14H26N2O/c1-4-5-10-14(2)16(3)12-9-7-6-8-11-15-13-17/h4,13H,1-2,5-12H2,3H3,(H,15,17)
InChIKeyNXNYBZDDAMCWFK-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.70
Rot. Bonds12

About N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide

N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide (PubChem CID 155696813) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide.

Molecular Properties

Compound NameN-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide
PubChem CID155696813
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide
SMILESC=CCCC(=C)N(C)CCCCCCNC=O
InChIInChI=1S/C14H26N2O/c1-4-5-10-14(2)16(3)12-9-7-6-8-11-15-13-17/h4,13H,1-2,5-12H2,3H3,(H,15,17)
InChIKeyNXNYBZDDAMCWFK-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-formamidopropyl)-N-methylprop-2-enamide
CID 141060601
N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide
CID 158997171
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998
ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine
CID 162360697
N-[(4E)-hepta-4,6-dienyl]formamide
CID 11521087
N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine
CID 143366441
prop-2-enyl 6-formamidohexanoate
CID 12006461
N-[2-[hexyl(methyl)amino]ethyl]formamide
CID 54347817
4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
CID 142369721
methyl 5-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]pentanoate
CID 109483865
2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide
CID 167460512
ethane;N-prop-2-enylpent-4-en-1-amine
CID 144890480

Frequently Asked Questions

What is the IUPAC name of N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide?
The IUPAC name of N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide (CID 155696813) is N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide.
What is the SMILES notation for N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide?
The canonical SMILES for N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide is C=CCCC(=C)N(C)CCCCCCNC=O.
What is the InChIKey of N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide?
The InChIKey is NXNYBZDDAMCWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-5-10-14(2)16(3)12-9-7-6-8-11-15-13-17/h4,13H,1-2,5-12H2,3H3,(H,15,17).
What are the key properties of N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide?
N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide has a molecular weight of 238.37 g/mol, XLogP of 2.70, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide is sourced from PubChem (CID 155696813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).