1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine

C14H30N2O — CID 79618055

IUPAC1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine
SMILESCCNC1CCCC(N(CC)C(C)COC)C1
InChIInChI=1S/C14H30N2O/c1-5-15-13-8-7-9-14(10-13)16(6-2)12(3)11-17-4/h12-15H,5-11H2,1-4H3
InChIKeyCXJZCWHOXKBFDS-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.26
Rot. Bonds7

About 1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine

1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine (PubChem CID 79618055) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine
PubChem CID79618055
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine
SMILESCCNC1CCCC(N(CC)C(C)COC)C1
InChIInChI=1S/C14H30N2O/c1-5-15-13-8-7-9-14(10-13)16(6-2)12(3)11-17-4/h12-15H,5-11H2,1-4H3
InChIKeyCXJZCWHOXKBFDS-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine (CID 79618055) is 1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine is CCNC1CCCC(N(CC)C(C)COC)C1.
What is the InChIKey of 1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine?
The InChIKey is CXJZCWHOXKBFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-15-13-8-7-9-14(10-13)16(6-2)12(3)11-17-4/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine?
1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79618055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).