2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

C16H26N2O — CID 169095475

IUPAC2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCCN)c1ccc2c(c1O)CCCC2
InChIInChI=1S/C16H26N2O/c1-2-11-18(12-5-10-17)15-9-8-13-6-3-4-7-14(13)16(15)19/h8-9,19H,2-7,10-12,17H2,1H3
InChIKeyBOGIFDIXKFZPOJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds6

About 2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 169095475) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID169095475
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCCN)c1ccc2c(c1O)CCCC2
InChIInChI=1S/C16H26N2O/c1-2-11-18(12-5-10-17)15-9-8-13-6-3-4-7-14(13)16(15)19/h8-9,19H,2-7,10-12,17H2,1H3
InChIKeyBOGIFDIXKFZPOJ-UHFFFAOYSA-N
XLogP2.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 154487648
2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117294086
N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 176916059
2-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117282549
1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 13074207
N,N-diethyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 71344847
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117405533
N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43136904
1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 117277012
1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 136530583
4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline
CID 63784071

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 169095475) is 2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(CCCN)c1ccc2c(c1O)CCCC2.
What is the InChIKey of 2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is BOGIFDIXKFZPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-11-18(12-5-10-17)15-9-8-13-6-3-4-7-14(13)16(15)19/h8-9,19H,2-7,10-12,17H2,1H3.
What are the key properties of 2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 169095475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).