N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine

C16H29N3 — CID 155582548

IUPACN-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CCc1ccc(CCN(C)N)cc1
InChIInChI=1S/C16H29N3/c1-14(2)13-18(3)11-9-15-5-7-16(8-6-15)10-12-19(4)17/h5-8,14H,9-13,17H2,1-4H3
InChIKeyRBSUYMSRDHJCIM-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.16
Rot. Bonds8

About N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine

N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine (PubChem CID 155582548) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine
PubChem CID155582548
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CCc1ccc(CCN(C)N)cc1
InChIInChI=1S/C16H29N3/c1-14(2)13-18(3)11-9-15-5-7-16(8-6-15)10-12-19(4)17/h5-8,14H,9-13,17H2,1-4H3
InChIKeyRBSUYMSRDHJCIM-UHFFFAOYSA-N
XLogP2.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline
CID 65350312
1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951
1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196909
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine
CID 115263477
[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]methanethiol
CID 115228378
2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 115120911
1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
CID 115121707
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115121708
1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 20979710
2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol
CID 115120934

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine (CID 155582548) is N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)CCc1ccc(CCN(C)N)cc1.
What is the InChIKey of N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine?
The InChIKey is RBSUYMSRDHJCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-14(2)13-18(3)11-9-15-5-7-16(8-6-15)10-12-19(4)17/h5-8,14H,9-13,17H2,1-4H3.
What are the key properties of N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine?
N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 155582548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).