1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one

C18H25NO — CID 116558983

IUPAC1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
SMILESO=C(CNC1CCCC1)CC1CCCc2ccccc21
InChIInChI=1S/C18H25NO/c20-17(13-19-16-9-2-3-10-16)12-15-8-5-7-14-6-1-4-11-18(14)15/h1,4,6,11,15-16,19H,2-3,5,7-10,12-13H2
InChIKeyNAVHOKUWVDGRRM-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.60
Rot. Bonds5

About 1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one

1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one (PubChem CID 116558983) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
PubChem CID116558983
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
SMILESO=C(CNC1CCCC1)CC1CCCc2ccccc21
InChIInChI=1S/C18H25NO/c20-17(13-19-16-9-2-3-10-16)12-15-8-5-7-14-6-1-4-11-18(14)15/h1,4,6,11,15-16,19H,2-3,5,7-10,12-13H2
InChIKeyNAVHOKUWVDGRRM-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116556095
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116659683
7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one
CID 116574746
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 105082812
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
3-methyl-3-methylsulfonyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 114964179
1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 116595122
1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63770747
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 114964228

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The IUPAC name of 1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one (CID 116558983) is 1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one.
What is the SMILES notation for 1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The canonical SMILES for 1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one is O=C(CNC1CCCC1)CC1CCCc2ccccc21.
What is the InChIKey of 1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The InChIKey is NAVHOKUWVDGRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c20-17(13-19-16-9-2-3-10-16)12-15-8-5-7-14-6-1-4-11-18(14)15/h1,4,6,11,15-16,19H,2-3,5,7-10,12-13H2.
What are the key properties of 1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one has a molecular weight of 271.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one is sourced from PubChem (CID 116558983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).