2-propoxy-N-propylcyclododecan-1-amine

C18H37NO — CID 63500356

IUPAC2-propoxy-N-propylcyclododecan-1-amine
SMILESCCCNC1CCCCCCCCCCC1OCCC
InChIInChI=1S/C18H37NO/c1-3-15-19-17-13-11-9-7-5-6-8-10-12-14-18(17)20-16-4-2/h17-19H,3-16H2,1-2H3
InChIKeyUQRLMLXQANQSHL-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.06
Rot. Bonds6

About 2-propoxy-N-propylcyclododecan-1-amine

2-propoxy-N-propylcyclododecan-1-amine (PubChem CID 63500356) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-propoxy-N-propylcyclododecan-1-amine.

Molecular Properties

Compound Name2-propoxy-N-propylcyclododecan-1-amine
PubChem CID63500356
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-propoxy-N-propylcyclododecan-1-amine
SMILESCCCNC1CCCCCCCCCCC1OCCC
InChIInChI=1S/C18H37NO/c1-3-15-19-17-13-11-9-7-5-6-8-10-12-14-18(17)20-16-4-2/h17-19H,3-16H2,1-2H3
InChIKeyUQRLMLXQANQSHL-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-propoxyethoxy)-N-propylcycloheptan-1-amine
CID 55233054
2-octoxy-N-propylcyclooctan-1-amine
CID 63476166
2-octoxy-N-propylcycloheptan-1-amine
CID 63473942
2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine
CID 103401822
2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
CID 63475623
N-ethyl-2-hexoxycycloheptan-1-amine
CID 55135932
N-ethyl-2-octoxycycloheptan-1-amine
CID 63473760
2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine
CID 82831438
2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine
CID 63474556
2-(2-cyclopropylethoxy)-N-ethylcyclododecan-1-amine
CID 106200788
2-(2-cyclopropylethoxy)-N-ethylcyclooctan-1-amine
CID 106200627
2-[(4-bromophenyl)methoxy]-N-propylcyclohexan-1-amine
CID 82832119

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-propylcyclododecan-1-amine?
The IUPAC name of 2-propoxy-N-propylcyclododecan-1-amine (CID 63500356) is 2-propoxy-N-propylcyclododecan-1-amine.
What is the SMILES notation for 2-propoxy-N-propylcyclododecan-1-amine?
The canonical SMILES for 2-propoxy-N-propylcyclododecan-1-amine is CCCNC1CCCCCCCCCCC1OCCC.
What is the InChIKey of 2-propoxy-N-propylcyclododecan-1-amine?
The InChIKey is UQRLMLXQANQSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-15-19-17-13-11-9-7-5-6-8-10-12-14-18(17)20-16-4-2/h17-19H,3-16H2,1-2H3.
What are the key properties of 2-propoxy-N-propylcyclododecan-1-amine?
2-propoxy-N-propylcyclododecan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-propylcyclododecan-1-amine is sourced from PubChem (CID 63500356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).