N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine

C14H23ClN2 — CID 65247254

IUPACN'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(CCC(C)(C)CN)Cc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-14(2,11-16)7-8-17(3)10-12-5-4-6-13(15)9-12/h4-6,9H,7-8,10-11,16H2,1-3H3
InChIKeyICJSXXRFHTUBKO-UHFFFAOYSA-N
MW254.81 g/mol
LogP3.15
Rot. Bonds6

About N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine

N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine (PubChem CID 65247254) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
PubChem CID65247254
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC NameN'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(CCC(C)(C)CN)Cc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-14(2,11-16)7-8-17(3)10-12-5-4-6-13(15)9-12/h4-6,9H,7-8,10-11,16H2,1-3H3
InChIKeyICJSXXRFHTUBKO-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106707877
5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063573
6-[(3-chlorophenyl)methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106709872
N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253981
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine
CID 55192519
1-N-[(3-chlorophenyl)methyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452340
hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate
CID 66337674
2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
CID 60699809
1-N-[(3-chlorophenyl)methyl]-2-ethyl-1-N-methylbutane-1,2-diamine
CID 79812657

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine (CID 65247254) is N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine is CN(CCC(C)(C)CN)Cc1cccc(Cl)c1.
What is the InChIKey of N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine?
The InChIKey is ICJSXXRFHTUBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-14(2,11-16)7-8-17(3)10-12-5-4-6-13(15)9-12/h4-6,9H,7-8,10-11,16H2,1-3H3.
What are the key properties of N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine?
N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine has a molecular weight of 254.81 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 65247254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).