1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine

C19H29N5 — CID 58794813

IUPAC1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine
SMILESCN(C)C(CCNc1ccc(N)cc1)CCNc1ccc(N)cc1
InChIInChI=1S/C19H29N5/c1-24(2)19(11-13-22-17-7-3-15(20)4-8-17)12-14-23-18-9-5-16(21)6-10-18/h3-10,19,22-23H,11-14,20-21H2,1-2H3
InChIKeyMILWFPGJAZCEDR-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.09
Rot. Bonds9

About 1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine

1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine (PubChem CID 58794813) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine.

Molecular Properties

Compound Name1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine
PubChem CID58794813
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine
SMILESCN(C)C(CCNc1ccc(N)cc1)CCNc1ccc(N)cc1
InChIInChI=1S/C19H29N5/c1-24(2)19(11-13-22-17-7-3-15(20)4-8-17)12-14-23-18-9-5-16(21)6-10-18/h3-10,19,22-23H,11-14,20-21H2,1-2H3
InChIKeyMILWFPGJAZCEDR-UHFFFAOYSA-N
XLogP3.09
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 106036365
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4-N-(2-bromoethyl)benzene-1,4-diamine
CID 70360117
4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine
CID 163689454
4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
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4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 68602874
4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763749
4-N-(2,2-difluoropropyl)benzene-1,4-diamine
CID 154216911
4-N-(2-nitrosoethyl)benzene-1,4-diamine
CID 131970603
tris[3-(4-aminoanilino)propyl]-methylazanium
CID 163610108
2-(4-aminoanilino)ethyl-trimethylazanium;iodide;hydrochloride
CID 22155037
3-(4-aminoanilino)propyl-[3-[3-(4-aminoanilino)propyl-dimethylazaniumyl]propyl]-dimethylazanium
CID 15868545

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine?
The IUPAC name of 1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine (CID 58794813) is 1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine.
What is the SMILES notation for 1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine?
The canonical SMILES for 1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine is CN(C)C(CCNc1ccc(N)cc1)CCNc1ccc(N)cc1.
What is the InChIKey of 1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine?
The InChIKey is MILWFPGJAZCEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-24(2)19(11-13-22-17-7-3-15(20)4-8-17)12-14-23-18-9-5-16(21)6-10-18/h3-10,19,22-23H,11-14,20-21H2,1-2H3.
What are the key properties of 1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine?
1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine has a molecular weight of 327.48 g/mol, XLogP of 3.09, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine is sourced from PubChem (CID 58794813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).