1-cyclododecyl-N-propylpropan-1-amine

C18H37N — CID 79308094

IUPAC1-cyclododecyl-N-propylpropan-1-amine
SMILESCCCNC(CC)C1CCCCCCCCCCC1
InChIInChI=1S/C18H37N/c1-3-16-19-18(4-2)17-14-12-10-8-6-5-7-9-11-13-15-17/h17-19H,3-16H2,1-2H3
InChIKeyCSQONYPXXLKPGD-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.69
Rot. Bonds5

About 1-cyclododecyl-N-propylpropan-1-amine

1-cyclododecyl-N-propylpropan-1-amine (PubChem CID 79308094) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-cyclododecyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-cyclododecyl-N-propylpropan-1-amine
PubChem CID79308094
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-cyclododecyl-N-propylpropan-1-amine
SMILESCCCNC(CC)C1CCCCCCCCCCC1
InChIInChI=1S/C18H37N/c1-3-16-19-18(4-2)17-14-12-10-8-6-5-7-9-11-13-15-17/h17-19H,3-16H2,1-2H3
InChIKeyCSQONYPXXLKPGD-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
CID 105027602
1-cyclohexyl-N-(2-methylsulfanylethyl)propan-1-amine
CID 115706234
1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089211
1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 62407006
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine
CID 79179369
1-cyclopentyl-N-propylbut-3-yn-1-amine
CID 62235333
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-N-propylpropan-1-amine?
The IUPAC name of 1-cyclododecyl-N-propylpropan-1-amine (CID 79308094) is 1-cyclododecyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-cyclododecyl-N-propylpropan-1-amine?
The canonical SMILES for 1-cyclododecyl-N-propylpropan-1-amine is CCCNC(CC)C1CCCCCCCCCCC1.
What is the InChIKey of 1-cyclododecyl-N-propylpropan-1-amine?
The InChIKey is CSQONYPXXLKPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-3-16-19-18(4-2)17-14-12-10-8-6-5-7-9-11-13-15-17/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-cyclododecyl-N-propylpropan-1-amine?
1-cyclododecyl-N-propylpropan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-N-propylpropan-1-amine is sourced from PubChem (CID 79308094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).