3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine

C14H29NO — CID 79569560

IUPAC3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(COC(C)C)C1
InChIInChI=1S/C14H29NO/c1-4-9-15-14-8-6-5-7-13(10-14)11-16-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyCJXBFSZGEYWAGU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds6

About 3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine

3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine (PubChem CID 79569560) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine
PubChem CID79569560
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(COC(C)C)C1
InChIInChI=1S/C14H29NO/c1-4-9-15-14-8-6-5-7-13(10-14)11-16-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyCJXBFSZGEYWAGU-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
CID 79569853
1-N-propylcyclohexane-1,3-diamine
CID 22026573
3-(cyclopentylmethoxy)-N-propylcyclopentan-1-amine
CID 79631925
3-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
CID 65178231
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine
CID 64717141
1-N-(4-propan-2-yloxybutyl)cyclohexane-1,3-diamine
CID 106007565
3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine
CID 103131852
3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine
CID 79550350
3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
CID 107427844
3-ethyl-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine
CID 64501869

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine?
The IUPAC name of 3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine (CID 79569560) is 3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine is CCCNC1CCCCC(COC(C)C)C1.
What is the InChIKey of 3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine?
The InChIKey is CJXBFSZGEYWAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-9-15-14-8-6-5-7-13(10-14)11-16-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine?
3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 79569560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).