N-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine

C25H39N3O — CID 142417886

IUPACN-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine
SMILESC=C(NC)/C(C)=C/C(C)=C\C(Cc1ccccc1)=C(C)CC.NCCCNC=O
InChIInChI=1S/C21H29N.C4H10N2O/c1-7-17(3)21(15-20-11-9-8-10-12-20)14-16(2)13-18(4)19(5)22-6;5-2-1-3-6-4-7/h8-14,22H,5,7,15H2,1-4,6H3;4H,1-3,5H2,(H,6,7)/b16-14-,18-13+,21-17?;
InChIKeyXEQHCRZTMIXDSY-DUYHKXASSA-N
MW397.61 g/mol
LogP4.66
Rot. Bonds11

About N-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine

N-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine (PubChem CID 142417886) has the molecular formula C25H39N3O and a molecular weight of 397.61 g/mol. Its IUPAC name is N-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine.

Molecular Properties

Compound NameN-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine
PubChem CID142417886
Molecular FormulaC25H39N3O
Molecular Weight397.61 g/mol
Exact Mass397.31
IUPAC NameN-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine
SMILESC=C(NC)/C(C)=C/C(C)=C\C(Cc1ccccc1)=C(C)CC.NCCCNC=O
InChIInChI=1S/C21H29N.C4H10N2O/c1-7-17(3)21(15-20-11-9-8-10-12-20)14-16(2)13-18(4)19(5)22-6;5-2-1-3-6-4-7/h8-14,22H,5,7,15H2,1-4,6H3;4H,1-3,5H2,(H,6,7)/b16-14-,18-13+,21-17?;
InChIKeyXEQHCRZTMIXDSY-DUYHKXASSA-N
XLogP4.66
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.61
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-4-benzyl-5-methyl-2-[(1E)-2-methyl-3-(methylamino)buta-1,3-dienyl]hepta-2,4-dienamide
CID 142417856
N-(3-aminopropyl)formamide;toluene
CID 162755810
ethanamine;N-(2-phenylethyl)formamide;propane
CID 143077311
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
CID 71541381
N-(6-phenylhexyl)formamide
CID 25180077
(2E)-4-benzyl-2-methylpenta-2,4-dienamide
CID 135192037
N-(4-oxobutyl)formamide;2-phenylethanol
CID 175298453
N,N'-bis(3-aminopropyl)butane-1,4-diamine;1-(2-ethylphenyl)ethanone
CID 177368272
2-methylprop-2-enyl N-[1-(5-formamidopentylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 168936328
methane;N-(2-phenylethyl)formamide
CID 143644399
[(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene
CID 143856849
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine?
The IUPAC name of N-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine (CID 142417886) is N-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine.
What is the SMILES notation for N-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine?
The canonical SMILES for N-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine is C=C(NC)/C(C)=C/C(C)=C\C(Cc1ccccc1)=C(C)CC.NCCCNC=O.
What is the InChIKey of N-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine?
The InChIKey is XEQHCRZTMIXDSY-DUYHKXASSA-N. The full InChI is InChI=1S/C21H29N.C4H10N2O/c1-7-17(3)21(15-20-11-9-8-10-12-20)14-16(2)13-18(4)19(5)22-6;5-2-1-3-6-4-7/h8-14,22H,5,7,15H2,1-4,6H3;4H,1-3,5H2,(H,6,7)/b16-14-,18-13+,21-17?;.
What are the key properties of N-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine?
N-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine has a molecular weight of 397.61 g/mol, XLogP of 4.66, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)formamide;(3E,5Z)-7-benzyl-N,3,5,8-tetramethyldeca-1,3,5,7-tetraen-2-amine is sourced from PubChem (CID 142417886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).