N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride

C14H25ClN2 — CID 119928713

IUPACN',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
SMILESCC(c1ccccc1)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C14H24N2.ClH/c1-12(13-8-6-5-7-9-13)16(4)11-14(2,3)10-15;/h5-9,12H,10-11,15H2,1-4H3;1H
InChIKeyFSRLDWBPEWBOMO-UHFFFAOYSA-N
MW256.82 g/mol
LogP3.09
Rot. Bonds5

About N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride

N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride (PubChem CID 119928713) has the molecular formula C14H25ClN2 and a molecular weight of 256.82 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
PubChem CID119928713
Molecular FormulaC14H25ClN2
Molecular Weight256.82 g/mol
Exact Mass256.17
IUPAC NameN',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
SMILESCC(c1ccccc1)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C14H24N2.ClH/c1-12(13-8-6-5-7-9-13)16(4)11-14(2,3)10-15;/h5-9,12H,10-11,15H2,1-4H3;1H
InChIKeyFSRLDWBPEWBOMO-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 79645598
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
CID 79647398
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride
CID 119929008
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 80686410
N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine
CID 79659967
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928811

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride (CID 119928713) is N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride is CC(c1ccccc1)N(C)CC(C)(C)CN.Cl.
What is the InChIKey of N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride?
The InChIKey is FSRLDWBPEWBOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.ClH/c1-12(13-8-6-5-7-9-13)16(4)11-14(2,3)10-15;/h5-9,12H,10-11,15H2,1-4H3;1H.
What are the key properties of N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride?
N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride has a molecular weight of 256.82 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 119928713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).