3-methoxy-N,N-dipropylcyclohexan-1-amine

C13H27NO — CID 67784811

IUPAC3-methoxy-N,N-dipropylcyclohexan-1-amine
SMILESCCCN(CCC)C1CCCC(OC)C1
InChIInChI=1S/C13H27NO/c1-4-9-14(10-5-2)12-7-6-8-13(11-12)15-3/h12-13H,4-11H2,1-3H3
InChIKeyDPNIJUGQADEWQT-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.07
Rot. Bonds6

About 3-methoxy-N,N-dipropylcyclohexan-1-amine

3-methoxy-N,N-dipropylcyclohexan-1-amine (PubChem CID 67784811) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methoxy-N,N-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,N-dipropylcyclohexan-1-amine
PubChem CID67784811
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methoxy-N,N-dipropylcyclohexan-1-amine
SMILESCCCN(CCC)C1CCCC(OC)C1
InChIInChI=1S/C13H27NO/c1-4-9-14(10-5-2)12-7-6-8-13(11-12)15-3/h12-13H,4-11H2,1-3H3
InChIKeyDPNIJUGQADEWQT-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-dipropylcyclohexan-1-amine?
The IUPAC name of 3-methoxy-N,N-dipropylcyclohexan-1-amine (CID 67784811) is 3-methoxy-N,N-dipropylcyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N,N-dipropylcyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N,N-dipropylcyclohexan-1-amine is CCCN(CCC)C1CCCC(OC)C1.
What is the InChIKey of 3-methoxy-N,N-dipropylcyclohexan-1-amine?
The InChIKey is DPNIJUGQADEWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-9-14(10-5-2)12-7-6-8-13(11-12)15-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-methoxy-N,N-dipropylcyclohexan-1-amine?
3-methoxy-N,N-dipropylcyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-dipropylcyclohexan-1-amine is sourced from PubChem (CID 67784811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).