4-pentoxycyclohexane-1,3-diamine

C11H24N2O — CID 139764970

IUPAC4-pentoxycyclohexane-1,3-diamine
SMILESCCCCCOC1CCC(N)CC1N
InChIInChI=1S/C11H24N2O/c1-2-3-4-7-14-11-6-5-9(12)8-10(11)13/h9-11H,2-8,12-13H2,1H3
InChIKeyWIOQHXYRAMIJIA-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.40
Rot. Bonds5

About 4-pentoxycyclohexane-1,3-diamine

4-pentoxycyclohexane-1,3-diamine (PubChem CID 139764970) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-pentoxycyclohexane-1,3-diamine.

Molecular Properties

Compound Name4-pentoxycyclohexane-1,3-diamine
PubChem CID139764970
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-pentoxycyclohexane-1,3-diamine
SMILESCCCCCOC1CCC(N)CC1N
InChIInChI=1S/C11H24N2O/c1-2-3-4-7-14-11-6-5-9(12)8-10(11)13/h9-11H,2-8,12-13H2,1H3
InChIKeyWIOQHXYRAMIJIA-UHFFFAOYSA-N
XLogP1.40
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hexoxycyclopentan-1-amine
CID 79464533
2-octoxycyclohexan-1-amine
CID 43127889
2-hexoxycyclododecan-1-amine
CID 43127854
2-heptoxy-4-methylcyclohexan-1-amine
CID 43127507
2-methoxy-3-pentoxycyclobutan-1-amine
CID 104674665
2-butoxycyclohexan-1-amine
CID 43267617
(2-pentoxy-4-propylcyclohexyl)methanamine
CID 43294257
5,8,14,17,23,26,32,35-octapentoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 57018214
cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323832
(1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine
CID 28820430
heptoxycyclopropane
CID 54099544
2-hexoxybicyclo[2.2.1]heptane
CID 56615606

Frequently Asked Questions

What is the IUPAC name of 4-pentoxycyclohexane-1,3-diamine?
The IUPAC name of 4-pentoxycyclohexane-1,3-diamine (CID 139764970) is 4-pentoxycyclohexane-1,3-diamine.
What is the SMILES notation for 4-pentoxycyclohexane-1,3-diamine?
The canonical SMILES for 4-pentoxycyclohexane-1,3-diamine is CCCCCOC1CCC(N)CC1N.
What is the InChIKey of 4-pentoxycyclohexane-1,3-diamine?
The InChIKey is WIOQHXYRAMIJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-3-4-7-14-11-6-5-9(12)8-10(11)13/h9-11H,2-8,12-13H2,1H3.
What are the key properties of 4-pentoxycyclohexane-1,3-diamine?
4-pentoxycyclohexane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxycyclohexane-1,3-diamine is sourced from PubChem (CID 139764970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).