1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine

C11H22N2O — CID 79459503

IUPAC1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(NCC2CCCO2)C1
InChIInChI=1S/C11H22N2O/c12-9-3-1-4-10(7-9)13-8-11-5-2-6-14-11/h9-11,13H,1-8,12H2
InChIKeyPGVMHKDORNATET-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.02
Rot. Bonds3

About 1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine

1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine (PubChem CID 79459503) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine
PubChem CID79459503
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(NCC2CCCO2)C1
InChIInChI=1S/C11H22N2O/c12-9-3-1-4-10(7-9)13-8-11-5-2-6-14-11/h9-11,13H,1-8,12H2
InChIKeyPGVMHKDORNATET-UHFFFAOYSA-N
XLogP1.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine
CID 79458603
3-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 63046122
3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 107428382
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
3-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 64504353
(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine
CID 97358325
3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
CID 117027700
(3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine
CID 94885715
N-ethyl-3-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65165304
2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 106592649
3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64751038
[(2R)-oxolan-2-yl]methylhydrazine;dihydrochloride
CID 66643106

Frequently Asked Questions

What is the IUPAC name of 1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine (CID 79459503) is 1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine is NC1CCCC(NCC2CCCO2)C1.
What is the InChIKey of 1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine?
The InChIKey is PGVMHKDORNATET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-9-3-1-4-10(7-9)13-8-11-5-2-6-14-11/h9-11,13H,1-8,12H2.
What are the key properties of 1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine?
1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine has a molecular weight of 198.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79459503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).