N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine

C24H34N4O — CID 145144138

IUPACN-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine
SMILESCCCC/N=C1\C=CC2=Cc3ccc(N)cc3C(C)(C)C2=C1.NCCCNC=O
InChIInChI=1S/C20H24N2.C4H10N2O/c1-4-5-10-22-17-9-7-15-11-14-6-8-16(21)12-18(14)20(2,3)19(15)13-17;5-2-1-3-6-4-7/h6-9,11-13H,4-5,10,21H2,1-3H3;4H,1-3,5H2,(H,6,7)/b22-17+;
InChIKeyCQBKHKGDTIEPDD-GDHRODDYSA-N
MW394.56 g/mol
LogP3.76
Rot. Bonds7

About N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine

N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine (PubChem CID 145144138) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine.

Molecular Properties

Compound NameN-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine
PubChem CID145144138
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC NameN-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine
SMILESCCCC/N=C1\C=CC2=Cc3ccc(N)cc3C(C)(C)C2=C1.NCCCNC=O
InChIInChI=1S/C20H24N2.C4H10N2O/c1-4-5-10-22-17-9-7-15-11-14-6-8-16(21)12-18(14)20(2,3)19(15)13-17;5-2-1-3-6-4-7/h6-9,11-13H,4-5,10,21H2,1-3H3;4H,1-3,5H2,(H,6,7)/b22-17+;
InChIKeyCQBKHKGDTIEPDD-GDHRODDYSA-N
XLogP3.76
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_quin_methide(10)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine?
The IUPAC name of N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine (CID 145144138) is N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine.
What is the SMILES notation for N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine?
The canonical SMILES for N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine is CCCC/N=C1\C=CC2=Cc3ccc(N)cc3C(C)(C)C2=C1.NCCCNC=O.
What is the InChIKey of N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine?
The InChIKey is CQBKHKGDTIEPDD-GDHRODDYSA-N. The full InChI is InChI=1S/C20H24N2.C4H10N2O/c1-4-5-10-22-17-9-7-15-11-14-6-8-16(21)12-18(14)20(2,3)19(15)13-17;5-2-1-3-6-4-7/h6-9,11-13H,4-5,10,21H2,1-3H3;4H,1-3,5H2,(H,6,7)/b22-17+;.
What are the key properties of N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine?
N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine has a molecular weight of 394.56 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine is sourced from PubChem (CID 145144138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).