N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine

C18H31N — CID 63520839

IUPACN-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine
SMILESCCNCC(CCC(C)(C)C)Cc1cccc(C)c1
InChIInChI=1S/C18H31N/c1-6-19-14-17(10-11-18(3,4)5)13-16-9-7-8-15(2)12-16/h7-9,12,17,19H,6,10-11,13-14H2,1-5H3
InChIKeyNHXKVAHUQCEQAM-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.59
Rot. Bonds7

About N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine

N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine (PubChem CID 63520839) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine
PubChem CID63520839
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine
SMILESCCNCC(CCC(C)(C)C)Cc1cccc(C)c1
InChIInChI=1S/C18H31N/c1-6-19-14-17(10-11-18(3,4)5)13-16-9-7-8-15(2)12-16/h7-9,12,17,19H,6,10-11,13-14H2,1-5H3
InChIKeyNHXKVAHUQCEQAM-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62530963
N-ethyl-4-ethylsulfonyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62516449
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62516451
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
CID 62516103
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014370
[5,5-dimethyl-1-(3-methylphenyl)hexan-2-yl]hydrazine
CID 105208965
2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine
CID 63522633
N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052981
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 106456671
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine?
The IUPAC name of N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine (CID 63520839) is N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine?
The canonical SMILES for N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine is CCNCC(CCC(C)(C)C)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine?
The InChIKey is NHXKVAHUQCEQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-19-14-17(10-11-18(3,4)5)13-16-9-7-8-15(2)12-16/h7-9,12,17,19H,6,10-11,13-14H2,1-5H3.
What are the key properties of N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine?
N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 63520839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).