2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine

C19H39NO — CID 63475623

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
SMILESCCCNC1CCCCCCCCCCC1OC(C)(C)C
InChIInChI=1S/C19H39NO/c1-5-16-20-17-14-12-10-8-6-7-9-11-13-15-18(17)21-19(2,3)4/h17-18,20H,5-16H2,1-4H3
InChIKeyUZMHIOOILHGTBJ-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.45
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine

2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine (PubChem CID 63475623) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
PubChem CID63475623
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
SMILESCCCNC1CCCCCCCCCCC1OC(C)(C)C
InChIInChI=1S/C19H39NO/c1-5-16-20-17-14-12-10-8-6-7-9-11-13-15-18(17)21-19(2,3)4/h17-18,20H,5-16H2,1-4H3
InChIKeyUZMHIOOILHGTBJ-UHFFFAOYSA-N
XLogP5.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine
CID 63475627
2-propoxy-N-propylcyclododecan-1-amine
CID 63500356
2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62708059
N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
CID 66274569
2-octoxy-N-propylcyclooctan-1-amine
CID 63476166
2-(2-propoxyethoxy)-N-propylcycloheptan-1-amine
CID 55233054
2-octoxy-N-propylcycloheptan-1-amine
CID 63473942
(2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 59906415
ethanol;2-methyl-N-propylcycloheptan-1-amine
CID 71071730
2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine
CID 63501080
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-N-propylcyclopentan-1-amine
CID 79857297
2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine
CID 64627611

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine (CID 63475623) is 2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine is CCCNC1CCCCCCCCCCC1OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine?
The InChIKey is UZMHIOOILHGTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-5-16-20-17-14-12-10-8-6-7-9-11-13-15-18(17)21-19(2,3)4/h17-18,20H,5-16H2,1-4H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine?
2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine is sourced from PubChem (CID 63475623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).