N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine

C18H29N3 — CID 115826950

IUPACN-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncnc1)C1CCC2CCCCC2C1
InChIInChI=1S/C18H29N3/c1-2-9-21-18(17-11-19-13-20-12-17)16-8-7-14-5-3-4-6-15(14)10-16/h11-16,18,21H,2-10H2,1H3
InChIKeyIACJZNMURDYSQJ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.12
Rot. Bonds5

About N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine

N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine (PubChem CID 115826950) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
PubChem CID115826950
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncnc1)C1CCC2CCCCC2C1
InChIInChI=1S/C18H29N3/c1-2-9-21-18(17-11-19-13-20-12-17)16-8-7-14-5-3-4-6-15(14)10-16/h11-16,18,21H,2-10H2,1H3
InChIKeyIACJZNMURDYSQJ-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine
CID 115855420
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102841954
N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine
CID 115827057
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033089
N-[cyclopentyl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374362
N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923487
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819269
N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine
CID 107589464
N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65425134
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115808934
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037

Frequently Asked Questions

What is the IUPAC name of N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine (CID 115826950) is N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine is CCCNC(c1cncnc1)C1CCC2CCCCC2C1.
What is the InChIKey of N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine?
The InChIKey is IACJZNMURDYSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-9-21-18(17-11-19-13-20-12-17)16-8-7-14-5-3-4-6-15(14)10-16/h11-16,18,21H,2-10H2,1H3.
What are the key properties of N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine?
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 115826950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).