1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine

C19H35N — CID 105005744

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCC2CCCCC2C1
InChIInChI=1S/C19H35N/c1-4-12-20-19(13-15(3)5-2)18-11-10-16-8-6-7-9-17(16)14-18/h16-20H,3-14H2,1-2H3
InChIKeyFRJUJAPPEYKORY-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.32
Rot. Bonds7

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine (PubChem CID 105005744) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine
PubChem CID105005744
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCC2CCCCC2C1
InChIInChI=1S/C19H35N/c1-4-12-20-19(13-15(3)5-2)18-11-10-16-8-6-7-9-17(16)14-18/h16-20H,3-14H2,1-2H3
InChIKeyFRJUJAPPEYKORY-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105163942
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819269
3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine
CID 80627297
N-methyl-1-(3-methylcyclopentyl)-3-methylidenepentan-1-amine
CID 66037347
1-(2-methylcyclopentyl)-3-methylidene-N-propylpentan-1-amine
CID 107189799
3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine
CID 79185600
3-methylidene-N-propyl-1-(thiolan-2-yl)pentan-1-amine
CID 80626543
3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 66037811
1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine
CID 79179369
1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine
CID 66036840
1-cyclopropyl-1-methoxy-4-methylidene-N-propylhexan-2-amine
CID 116722865
(1-cyclohexyl-3-methylidenepentyl)hydrazine
CID 105201935

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine (CID 105005744) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine is C=C(CC)CC(NCCC)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine?
The InChIKey is FRJUJAPPEYKORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-4-12-20-19(13-15(3)5-2)18-11-10-16-8-6-7-9-17(16)14-18/h16-20H,3-14H2,1-2H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine is sourced from PubChem (CID 105005744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).