N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C17H25N — CID 103561864

IUPACN-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)C1CC(NC2CCc3ccccc3C2)C1
InChIInChI=1S/C17H25N/c1-12(2)15-10-17(11-15)18-16-8-7-13-5-3-4-6-14(13)9-16/h3-6,12,15-18H,7-11H2,1-2H3
InChIKeyZVOAKMIETHXALS-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.57
Rot. Bonds3

About N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine

N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 103561864) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID103561864
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)C1CC(NC2CCc3ccccc3C2)C1
InChIInChI=1S/C17H25N/c1-12(2)15-10-17(11-15)18-16-8-7-13-5-3-4-6-14(13)9-16/h3-6,12,15-18H,7-11H2,1-2H3
InChIKeyZVOAKMIETHXALS-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-propan-2-ylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107448472
N-(4-methylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223234
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]cyclohexan-1-ol
CID 26458441
4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]cyclohexan-1-ol
CID 26458443
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60664553
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81351587
N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63995066
N-(2-methylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63277998
propan-2-yl N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 116655524
N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine
CID 104584497
2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine
CID 43434687

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 103561864) is N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CC(C)C1CC(NC2CCc3ccccc3C2)C1.
What is the InChIKey of N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ZVOAKMIETHXALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12(2)15-10-17(11-15)18-16-8-7-13-5-3-4-6-14(13)9-16/h3-6,12,15-18H,7-11H2,1-2H3.
What are the key properties of N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 243.39 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-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 103561864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).