(1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine

C17H25N — CID 3733027

IUPAC(1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine
SMILESCC1(CN)CCCC2(C)c3ccccc3CCC12
InChIInChI=1S/C17H25N/c1-16(12-18)10-5-11-17(2)14-7-4-3-6-13(14)8-9-15(16)17/h3-4,6-7,15H,5,8-12,18H2,1-2H3
InChIKeyQRHUOUQJLCRMIE-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.66
Rot. Bonds1

About (1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine

(1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine (PubChem CID 3733027) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine.

Molecular Properties

Compound Name(1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine
PubChem CID3733027
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine
SMILESCC1(CN)CCCC2(C)c3ccccc3CCC12
InChIInChI=1S/C17H25N/c1-16(12-18)10-5-11-17(2)14-7-4-3-6-13(14)8-9-15(16)17/h3-4,6-7,15H,5,8-12,18H2,1-2H3
InChIKeyQRHUOUQJLCRMIE-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,4aR,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
CID 7067285
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;hydrobromide
CID 170850302
(1S,4aS,10aR)-4a-methyl-1-(trifluoromethyl)-2,3,4,9,10,10a-hexahydrophenanthren-1-ol
CID 11822169
(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine;1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene;propane
CID 159939808
1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl chloride
CID 144508012
[6-[[8-(aminomethyl)-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]methyl]-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
CID 146657083
sodium;(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine;2,4,5-trimethyl-1,3-dioxolane-2-carboxylic acid;hydrochloride
CID 54603189
[(1R,4aR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylazanium
CID 7067282
1-[(1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]-N-[[(1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]methanamine
CID 18599438
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;1H-imidazole-4,5-dicarboxylic acid
CID 155549915
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
1,1,4a-trimethyl-4,9,10,10a-tetrahydrophenanthrene
CID 123682329

Frequently Asked Questions

What is the IUPAC name of (1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine?
The IUPAC name of (1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine (CID 3733027) is (1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine.
What is the SMILES notation for (1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine?
The canonical SMILES for (1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine is CC1(CN)CCCC2(C)c3ccccc3CCC12.
What is the InChIKey of (1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine?
The InChIKey is QRHUOUQJLCRMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-16(12-18)10-5-11-17(2)14-7-4-3-6-13(14)8-9-15(16)17/h3-4,6-7,15H,5,8-12,18H2,1-2H3.
What are the key properties of (1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine?
(1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine has a molecular weight of 243.39 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine is sourced from PubChem (CID 3733027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).