N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine

C17H27N — CID 43108616

IUPACN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H27N/c1-4-7-13(2)18-14(3)16-11-10-15-8-5-6-9-17(15)12-16/h10-14,18H,4-9H2,1-3H3
InChIKeyHEJCBXRLZNDUBZ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.40
Rot. Bonds5

About N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine (PubChem CID 43108616) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine
PubChem CID43108616
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H27N/c1-4-7-13(2)18-14(3)16-11-10-15-8-5-6-9-17(15)12-16/h10-14,18H,4-9H2,1-3H3
InChIKeyHEJCBXRLZNDUBZ-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 81338020
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol
CID 81339451
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol
CID 50973028
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 43207232
4-methyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]pentan-1-ol
CID 61246406
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
N-methyl-2-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 82985313
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylpentan-1-amine
CID 43485099
1-cyclopentyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]ethanamine
CID 63444402
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine (CID 43108616) is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine is CCCC(C)NC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine?
The InChIKey is HEJCBXRLZNDUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-7-13(2)18-14(3)16-11-10-15-8-5-6-9-17(15)12-16/h10-14,18H,4-9H2,1-3H3.
What are the key properties of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine?
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 43108616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).