2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol

C16H29NO — CID 114750752

IUPAC2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CCC3CCCCC3C2)CC1
InChIInChI=1S/C16H29NO/c18-10-9-16(7-8-16)12-17-15-6-5-13-3-1-2-4-14(13)11-15/h13-15,17-18H,1-12H2
InChIKeyWOJBDVKYFCMKNH-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.10
Rot. Bonds5

About 2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol

2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol (PubChem CID 114750752) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol
PubChem CID114750752
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CCC3CCCCC3C2)CC1
InChIInChI=1S/C16H29NO/c18-10-9-16(7-8-16)12-17-15-6-5-13-3-1-2-4-14(13)11-15/h13-15,17-18H,1-12H2
InChIKeyWOJBDVKYFCMKNH-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

3-cyclopropyl-N-[(1-propylcyclopropyl)methyl]cyclohexan-1-amine
CID 114099645
2-[1-[(cyclohexylamino)methyl]cyclohexyl]ethanol
CID 111974878
3-cyclopropyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexan-1-amine
CID 103903916
(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167179387
2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol
CID 114750591
2-[1-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclopropyl]ethanol
CID 114750760
2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol
CID 114756019
2-[1-[[(3-ethoxycyclobutyl)amino]methyl]cyclopropyl]ethanol
CID 114750744
2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114756149
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid
CID 43774214
2-[1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]cyclopropyl]ethanol
CID 114750536
2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol
CID 115727241

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol (CID 114750752) is 2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol is OCCC1(CNC2CCC3CCCCC3C2)CC1.
What is the InChIKey of 2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol?
The InChIKey is WOJBDVKYFCMKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c18-10-9-16(7-8-16)12-17-15-6-5-13-3-1-2-4-14(13)11-15/h13-15,17-18H,1-12H2.
What are the key properties of 2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol?
2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol has a molecular weight of 251.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).