N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine

C24H37N3 — CID 66808934

IUPACN'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
SMILESCc1cc(C)c(C(N)CCNCCC(N)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C24H37N3/c1-15-11-17(3)23(18(4)12-15)21(25)7-9-27-10-8-22(26)24-19(5)13-16(2)14-20(24)6/h11-14,21-22,27H,7-10,25-26H2,1-6H3
InChIKeyNZIZLJXKFCTGNA-UHFFFAOYSA-N
MW367.58 g/mol
LogP4.61
Rot. Bonds8

About N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine

N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine (PubChem CID 66808934) has the molecular formula C24H37N3 and a molecular weight of 367.58 g/mol. Its IUPAC name is N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
PubChem CID66808934
Molecular FormulaC24H37N3
Molecular Weight367.58 g/mol
Exact Mass367.30
IUPAC NameN'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
SMILESCc1cc(C)c(C(N)CCNCCC(N)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C24H37N3/c1-15-11-17(3)23(18(4)12-15)21(25)7-9-27-10-8-22(26)24-19(5)13-16(2)14-20(24)6/h11-14,21-22,27H,7-10,25-26H2,1-6H3
InChIKeyNZIZLJXKFCTGNA-UHFFFAOYSA-N
XLogP4.61
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
methyl 4-amino-4-(2,4,6-trimethylphenyl)butanoate
CID 60862319
N'-[2-amino-2-[4-methyl-2,6-di(propan-2-yl)phenyl]ethyl]-1-[4-methyl-2,6-di(propan-2-yl)phenyl]propane-1,3-diamine
CID 66808787
(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride
CID 171225337
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 105024104
2-(3,4-dimethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 63522355
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
3-amino-3-(2-bromo-4,6-dimethylphenyl)propan-1-ol
CID 84805872
3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 116939906
2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol
CID 83928223

Frequently Asked Questions

What is the IUPAC name of N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine?
The IUPAC name of N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine (CID 66808934) is N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine is Cc1cc(C)c(C(N)CCNCCC(N)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine?
The InChIKey is NZIZLJXKFCTGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3/c1-15-11-17(3)23(18(4)12-15)21(25)7-9-27-10-8-22(26)24-19(5)13-16(2)14-20(24)6/h11-14,21-22,27H,7-10,25-26H2,1-6H3.
What are the key properties of N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine?
N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine has a molecular weight of 367.58 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 66808934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).