1-(2-adamantyl)-5-methylhexan-1-amine

C17H31N — CID 105028742

IUPAC1-(2-adamantyl)-5-methylhexan-1-amine
SMILESCC(C)CCCC(N)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31N/c1-11(2)4-3-5-16(18)17-14-7-12-6-13(9-14)10-15(17)8-12/h11-17H,3-10,18H2,1-2H3
InChIKeySHTDXTQKHOORSS-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.21
Rot. Bonds5

About 1-(2-adamantyl)-5-methylhexan-1-amine

1-(2-adamantyl)-5-methylhexan-1-amine (PubChem CID 105028742) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1-(2-adamantyl)-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2-adamantyl)-5-methylhexan-1-amine
PubChem CID105028742
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1-(2-adamantyl)-5-methylhexan-1-amine
SMILESCC(C)CCCC(N)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31N/c1-11(2)4-3-5-16(18)17-14-7-12-6-13(9-14)10-15(17)8-12/h11-17H,3-10,18H2,1-2H3
InChIKeySHTDXTQKHOORSS-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-adamantyl)ethanamine
CID 151459315
5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161046
1-cyclooctyl-5-methylhexan-1-amine
CID 83162244
5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine
CID 112680959
2-(1-iodoethyl)adamantane
CID 23001063
2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane
CID 91611699
2-(2-deuteriopropan-2-yl)adamantane
CID 153320243
CID 174062033
CID 174062033
1-(2-adamantyl)-N-methylhexan-1-amine
CID 115837552
1-(2-adamantyl)-N,2-dimethylpentan-1-amine
CID 107893397
5-methyl-1-(thiolan-2-yl)hexan-1-amine
CID 83160752
2-ethoxy-4-methylpentane;3-methylbutan-1-ol;2-methylhexane;2-propan-2-yladamantane
CID 159412026

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-5-methylhexan-1-amine?
The IUPAC name of 1-(2-adamantyl)-5-methylhexan-1-amine (CID 105028742) is 1-(2-adamantyl)-5-methylhexan-1-amine.
What is the SMILES notation for 1-(2-adamantyl)-5-methylhexan-1-amine?
The canonical SMILES for 1-(2-adamantyl)-5-methylhexan-1-amine is CC(C)CCCC(N)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-5-methylhexan-1-amine?
The InChIKey is SHTDXTQKHOORSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-11(2)4-3-5-16(18)17-14-7-12-6-13(9-14)10-15(17)8-12/h11-17H,3-10,18H2,1-2H3.
What are the key properties of 1-(2-adamantyl)-5-methylhexan-1-amine?
1-(2-adamantyl)-5-methylhexan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-5-methylhexan-1-amine is sourced from PubChem (CID 105028742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).