5-(2-methylpropyl)naphthalen-1-amine

C14H17N — CID 134233133

IUPAC5-(2-methylpropyl)naphthalen-1-amine
SMILESCC(C)Cc1cccc2c(N)cccc12
InChIInChI=1S/C14H17N/c1-10(2)9-11-5-3-7-13-12(11)6-4-8-14(13)15/h3-8,10H,9,15H2,1-2H3
InChIKeyVCPNBPCQGDOGQN-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.62
Rot. Bonds2

About 5-(2-methylpropyl)naphthalen-1-amine

5-(2-methylpropyl)naphthalen-1-amine (PubChem CID 134233133) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 5-(2-methylpropyl)naphthalen-1-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)naphthalen-1-amine
PubChem CID134233133
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name5-(2-methylpropyl)naphthalen-1-amine
SMILESCC(C)Cc1cccc2c(N)cccc12
InChIInChI=1S/C14H17N/c1-10(2)9-11-5-3-7-13-12(11)6-4-8-14(13)15/h3-8,10H,9,15H2,1-2H3
InChIKeyVCPNBPCQGDOGQN-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.62
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

(5-aminonaphthalen-1-yl)methanol
CID 117275395
1-fluoro-4-(2-methylpropyl)naphthalene
CID 58853997
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
2-methoxy-1-methyl-3-(2-methylpropyl)benzene
CID 14665596
CID 135259743
CID 135259743
3-methyl-2-(2-methylpropyl)aniline
CID 21420803
ethane;2-(3-methylbutyl)aniline
CID 143042088
azane;naphthalen-1-amine;dihydrochloride
CID 142719941
3-bromo-2-methylaniline;1-bromo-2-methyl-3-(2-methylpropyl)benzene;propan-2-one
CID 159765875
sodium 1,5-bis(2-methylpropyl)naphthalene-2-sulfonate
CID 101397592
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
azane;[2-(2-methylpropyl)phenyl]methanamine
CID 174953175

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)naphthalen-1-amine?
The IUPAC name of 5-(2-methylpropyl)naphthalen-1-amine (CID 134233133) is 5-(2-methylpropyl)naphthalen-1-amine.
What is the SMILES notation for 5-(2-methylpropyl)naphthalen-1-amine?
The canonical SMILES for 5-(2-methylpropyl)naphthalen-1-amine is CC(C)Cc1cccc2c(N)cccc12.
What is the InChIKey of 5-(2-methylpropyl)naphthalen-1-amine?
The InChIKey is VCPNBPCQGDOGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-10(2)9-11-5-3-7-13-12(11)6-4-8-14(13)15/h3-8,10H,9,15H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)naphthalen-1-amine?
5-(2-methylpropyl)naphthalen-1-amine has a molecular weight of 199.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)naphthalen-1-amine is sourced from PubChem (CID 134233133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).