N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine

C16H25N — CID 22983759

IUPACN,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCC(C)NC1(C(C)C)CCc2ccccc2C1
InChIInChI=1S/C16H25N/c1-12(2)16(17-13(3)4)10-9-14-7-5-6-8-15(14)11-16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyLXVOXGUZQJPYAE-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.57
Rot. Bonds3

About N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine

N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 22983759) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound NameN,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID22983759
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCC(C)NC1(C(C)C)CCc2ccccc2C1
InChIInChI=1S/C16H25N/c1-12(2)16(17-13(3)4)10-9-14-7-5-6-8-15(14)11-16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyLXVOXGUZQJPYAE-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-indene;2-methylpropane
CID 91244867
2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 10375184
N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine
CID 115922520
2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride
CID 138040145
3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112
2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 54908495
[2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 65408100
2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol
CID 79128929
ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol
CID 143787682
1,2,3,4-tetrahydronaphthalene
CID 174531863
1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
CID 79509921
1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 53299308

Frequently Asked Questions

What is the IUPAC name of N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine (CID 22983759) is N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine is CC(C)NC1(C(C)C)CCc2ccccc2C1.
What is the InChIKey of N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is LXVOXGUZQJPYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)16(17-13(3)4)10-9-14-7-5-6-8-15(14)11-16/h5-8,12-13,17H,9-11H2,1-4H3.
What are the key properties of N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 22983759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).