N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine

C16H28N2 — CID 43754808

IUPACN',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
SMILESCC(CC(C)(C)c1ccccc1)NCCN(C)C
InChIInChI=1S/C16H28N2/c1-14(17-11-12-18(4)5)13-16(2,3)15-9-7-6-8-10-15/h6-10,14,17H,11-13H2,1-5H3
InChIKeyQWAJSNRUEFLNGN-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.89
Rot. Bonds7

About N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine (PubChem CID 43754808) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
PubChem CID43754808
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
SMILESCC(CC(C)(C)c1ccccc1)NCCN(C)C
InChIInChI=1S/C16H28N2/c1-14(17-11-12-18(4)5)13-16(2,3)15-9-7-6-8-10-15/h6-10,14,17H,11-13H2,1-5H3
InChIKeyQWAJSNRUEFLNGN-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 62975730
N-hexyl-4-methyl-4-phenylpentan-2-amine
CID 43769669
N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine
CID 103921230
N-(2-cyclopentylethyl)-4-methyl-4-phenylpentan-2-amine
CID 63450264
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
CID 115906615
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672
N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine
CID 79090233
2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
CID 65107916
N,N,4-trimethyl-4-phenylpentan-2-amine
CID 142069190
N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine
CID 61326348
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine (CID 43754808) is N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine is CC(CC(C)(C)c1ccccc1)NCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is QWAJSNRUEFLNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-14(17-11-12-18(4)5)13-16(2,3)15-9-7-6-8-10-15/h6-10,14,17H,11-13H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43754808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).