2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol

C18H29NO — CID 82312888

IUPAC2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
SMILESCCC(C)NC(CC)C(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H29NO/c1-4-13(3)19-17(5-2)18(20)16-11-10-14-8-6-7-9-15(14)12-16/h10-13,17-20H,4-9H2,1-3H3
InChIKeyNMVHCMOMOXFWEV-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.77
Rot. Bonds6

About 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol

2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol (PubChem CID 82312888) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
PubChem CID82312888
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
SMILESCCC(C)NC(CC)C(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H29NO/c1-4-13(3)19-17(5-2)18(20)16-11-10-14-8-6-7-9-15(14)12-16/h10-13,17-20H,4-9H2,1-3H3
InChIKeyNMVHCMOMOXFWEV-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-2-(propan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 7047598
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride
CID 3029491
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 43207232
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine
CID 43108616
3-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 115720493
5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol
CID 83931813
1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol
CID 114194360
3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 81338020
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol
CID 50973028

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol?
The IUPAC name of 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol (CID 82312888) is 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol?
The canonical SMILES for 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol is CCC(C)NC(CC)C(O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol?
The InChIKey is NMVHCMOMOXFWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-13(3)19-17(5-2)18(20)16-11-10-14-8-6-7-9-15(14)12-16/h10-13,17-20H,4-9H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol?
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol is sourced from PubChem (CID 82312888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).