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

C16H24N2 — CID 174900275

IUPACN-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
SMILESc1cc(CNC2CCCC3CCCCC32)ccn1
InChIInChI=1S/C16H24N2/c1-2-6-15-14(4-1)5-3-7-16(15)18-12-13-8-10-17-11-9-13/h8-11,14-16,18H,1-7,12H2
InChIKeyKEKFJGZBTSCXCA-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.53
Rot. Bonds3

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

N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine (PubChem CID 174900275) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
PubChem CID174900275
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
SMILESc1cc(CNC2CCCC3CCCCC32)ccn1
InChIInChI=1S/C16H24N2/c1-2-6-15-14(4-1)5-3-7-16(15)18-12-13-8-10-17-11-9-13/h8-11,14-16,18H,1-7,12H2
InChIKeyKEKFJGZBTSCXCA-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol
CID 114331396
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994
2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine
CID 114954883
2-(pyridin-4-ylmethylamino)cycloheptane-1-carbonitrile
CID 62743142
2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
CID 61284102
2-(pyridin-4-ylmethylamino)cyclobutan-1-ol
CID 126856533
2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60962281
(2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine
CID 124508072
[4-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 103753143
4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65087684
2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
CID 63830392
(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol
CID 93384643

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine (CID 174900275) is N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine is c1cc(CNC2CCCC3CCCCC32)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The InChIKey is KEKFJGZBTSCXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-6-15-14(4-1)5-3-7-16(15)18-12-13-8-10-17-11-9-13/h8-11,14-16,18H,1-7,12H2.
What are the key properties of N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine is sourced from PubChem (CID 174900275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).