ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene

C29H39N — CID 162748725

IUPACethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene
SMILESCC.CC.Cc1cc2ccccc2cc1N.Cc1ccc2cc(C(C)C)ccc2c1
InChIInChI=1S/C14H16.C11H11N.2C2H6/c1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12;1-8-6-9-4-2-3-5-10(9)7-11(8)12;2*1-2/h4-10H,1-3H3;2-7H,12H2,1H3;2*1-2H3
InChIKeyNEDMMVKGUUUGFD-UHFFFAOYSA-N
MW401.64 g/mol
LogP9.05
Rot. Bonds1

About ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene

ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene (PubChem CID 162748725) has the molecular formula C29H39N and a molecular weight of 401.64 g/mol. Its IUPAC name is ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene.

Molecular Properties

Compound Nameethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene
PubChem CID162748725
Molecular FormulaC29H39N
Molecular Weight401.64 g/mol
Exact Mass401.31
IUPAC Nameethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene
SMILESCC.CC.Cc1cc2ccccc2cc1N.Cc1ccc2cc(C(C)C)ccc2c1
InChIInChI=1S/C14H16.C11H11N.2C2H6/c1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12;1-8-6-9-4-2-3-5-10(9)7-11(8)12;2*1-2/h4-10H,1-3H3;2-7H,12H2,1H3;2*1-2H3
InChIKeyNEDMMVKGUUUGFD-UHFFFAOYSA-N
XLogP9.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 59.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine
CID 162748645
ethane;2-propan-2-ylnaphthalene
CID 142226111
2-propan-2-ylpentacene
CID 153380535
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
2-methylnaphthalene;1,2-xylene
CID 142041411
2-methylnaphthalene;dihydrate
CID 174912803
2-methylnaphthalene chloride
CID 21193556
benzene;2-methylnaphthalene
CID 159438891
2-[bromo-(4-methylphenyl)methyl]naphthalene
CID 63437307
2,4-dimethylaniline;4-propan-2-ylaniline
CID 158951075

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene?
The IUPAC name of ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene (CID 162748725) is ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene.
What is the SMILES notation for ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene?
The canonical SMILES for ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene is CC.CC.Cc1cc2ccccc2cc1N.Cc1ccc2cc(C(C)C)ccc2c1.
What is the InChIKey of ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene?
The InChIKey is NEDMMVKGUUUGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C11H11N.2C2H6/c1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12;1-8-6-9-4-2-3-5-10(9)7-11(8)12;2*1-2/h4-10H,1-3H3;2-7H,12H2,1H3;2*1-2H3.
What are the key properties of ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene?
ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene has a molecular weight of 401.64 g/mol, XLogP of 9.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene is sourced from PubChem (CID 162748725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).