N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine

C17H30N2 — CID 115997324

IUPACN',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)(C)CCc1ccccc1
InChIInChI=1S/C17H30N2/c1-5-19(6-2)15-14-18-17(3,4)13-12-16-10-8-7-9-11-16/h7-11,18H,5-6,12-15H2,1-4H3
InChIKeyXRVKJFAWICCKAC-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.33
Rot. Bonds9

About N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine

N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine (PubChem CID 115997324) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
PubChem CID115997324
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)(C)CCc1ccccc1
InChIInChI=1S/C17H30N2/c1-5-19(6-2)15-14-18-17(3,4)13-12-16-10-8-7-9-11-16/h7-11,18H,5-6,12-15H2,1-4H3
InChIKeyXRVKJFAWICCKAC-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
CID 113231354
N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 12882439
N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine
CID 57175425
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide
CID 115690814
N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine
CID 138685115
N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide
CID 103822680
N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine
CID 107913963
2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 115690821
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine (CID 115997324) is N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine is CCN(CC)CCNC(C)(C)CCc1ccccc1.
What is the InChIKey of N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is XRVKJFAWICCKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-19(6-2)15-14-18-17(3,4)13-12-16-10-8-7-9-11-16/h7-11,18H,5-6,12-15H2,1-4H3.
What are the key properties of N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115997324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).