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

C14H25ClN2 — CID 119928998

IUPACN',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
SMILESCN(CCc1ccccc1)CC(C)(C)CN.Cl
InChIInChI=1S/C14H24N2.ClH/c1-14(2,11-15)12-16(3)10-9-13-7-5-4-6-8-13;/h4-8H,9-12,15H2,1-3H3;1H
InChIKeyDVYKUIIYFGEGCS-UHFFFAOYSA-N
MW256.82 g/mol
LogP2.57
Rot. Bonds6

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

N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride (PubChem CID 119928998) has the molecular formula C14H25ClN2 and a molecular weight of 256.82 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
PubChem CID119928998
Molecular FormulaC14H25ClN2
Molecular Weight256.82 g/mol
Exact Mass256.17
IUPAC NameN',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
SMILESCN(CCc1ccccc1)CC(C)(C)CN.Cl
InChIInChI=1S/C14H24N2.ClH/c1-14(2,11-15)12-16(3)10-9-13-7-5-4-6-8-13;/h4-8H,9-12,15H2,1-3H3;1H
InChIKeyDVYKUIIYFGEGCS-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride
CID 119928677
2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 28759347
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride
CID 119928823
2-methyl-3-[methyl(2-phenylethyl)amino]-2-phenylpropan-1-ol
CID 65485963
1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951
N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928708
1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 66454544
2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 107473516
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride (CID 119928998) is N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride is CN(CCc1ccccc1)CC(C)(C)CN.Cl.
What is the InChIKey of N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride?
The InChIKey is DVYKUIIYFGEGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.ClH/c1-14(2,11-15)12-16(3)10-9-13-7-5-4-6-8-13;/h4-8H,9-12,15H2,1-3H3;1H.
What are the key properties of N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride?
N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride has a molecular weight of 256.82 g/mol, XLogP of 2.57, 6 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'-(2-phenylethyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 119928998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).