7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

C18H24N2 — CID 54208164

IUPAC7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
SMILESCCCN(CC1CC1)C1CCc2cccc(C#N)c2C1
InChIInChI=1S/C18H24N2/c1-2-10-20(13-14-6-7-14)17-9-8-15-4-3-5-16(12-19)18(15)11-17/h3-5,14,17H,2,6-11,13H2,1H3
InChIKeyPUAHOFATWYULSD-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.54
Rot. Bonds5

About 7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile (PubChem CID 54208164) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
PubChem CID54208164
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
SMILESCCCN(CC1CC1)C1CCc2cccc(C#N)c2C1
InChIInChI=1S/C18H24N2/c1-2-10-20(13-14-6-7-14)17-9-8-15-4-3-5-16(12-19)18(15)11-17/h3-5,14,17H,2,6-11,13H2,1H3
InChIKeyPUAHOFATWYULSD-UHFFFAOYSA-N
XLogP3.54
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19761690
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866
N,N-dipropyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15908435
N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 119930879
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
CID 15230497
(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562626
5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562601
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158457147
3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile
CID 47540982
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836
N,N-dipropyl-8-(1,3,5-triazin-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 23373523
(2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10426492

Frequently Asked Questions

What is the IUPAC name of 7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The IUPAC name of 7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile (CID 54208164) is 7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile.
What is the SMILES notation for 7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The canonical SMILES for 7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile is CCCN(CC1CC1)C1CCc2cccc(C#N)c2C1.
What is the InChIKey of 7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The InChIKey is PUAHOFATWYULSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-10-20(13-14-6-7-14)17-9-8-15-4-3-5-16(12-19)18(15)11-17/h3-5,14,17H,2,6-11,13H2,1H3.
What are the key properties of 7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile has a molecular weight of 268.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile is sourced from PubChem (CID 54208164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).