2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol

C16H31NO — CID 61247146

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC1CCC2CCCCC2C1
InChIInChI=1S/C16H31NO/c1-12(2)9-16(11-18)17-15-8-7-13-5-3-4-6-14(13)10-15/h12-18H,3-11H2,1-2H3
InChIKeyVVTBAQCGKKYMIJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.34
Rot. Bonds5

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol (PubChem CID 61247146) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol
PubChem CID61247146
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC1CCC2CCCCC2C1
InChIInChI=1S/C16H31NO/c1-12(2)9-16(11-18)17-15-8-7-13-5-3-4-6-14(13)10-15/h12-18H,3-11H2,1-2H3
InChIKeyVVTBAQCGKKYMIJ-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol with MolForge

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Related Compounds

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propane-1,3-diol
CID 65315355
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol
CID 79254765
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol
CID 115723043
2-[(3-aminocyclohexyl)amino]-4-methylpentan-1-ol
CID 79459156
4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
CID 65091413
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
CID 102613855
2-[(3-cyclopropylcyclohexyl)amino]propan-1-ol
CID 64593901
4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol
CID 65079779
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanoic acid
CID 61499724
2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol
CID 61242205
4-methyl-2-(oxan-4-ylamino)pentan-1-ol
CID 21355434
4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol
CID 114817532

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol (CID 61247146) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol is CC(C)CC(CO)NC1CCC2CCCCC2C1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol?
The InChIKey is VVTBAQCGKKYMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)9-16(11-18)17-15-8-7-13-5-3-4-6-14(13)10-15/h12-18H,3-11H2,1-2H3.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 61247146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).