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

C14H27NO — CID 43223104

IUPACN-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCOCC(C)NC1CCC2CCCCC2C1
InChIInChI=1S/C14H27NO/c1-11(10-16-2)15-14-8-7-12-5-3-4-6-13(12)9-14/h11-15H,3-10H2,1-2H3
InChIKeyYLPYYBIPTUVICI-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds4

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

N-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43223104) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43223104
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCOCC(C)NC1CCC2CCCCC2C1
InChIInChI=1S/C14H27NO/c1-11(10-16-2)15-14-8-7-12-5-3-4-6-13(12)9-14/h11-15H,3-10H2,1-2H3
InChIKeyYLPYYBIPTUVICI-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43223104) is N-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is COCC(C)NC1CCC2CCCCC2C1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is YLPYYBIPTUVICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(10-16-2)15-14-8-7-12-5-3-4-6-13(12)9-14/h11-15H,3-10H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43223104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).