2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine

C14H30N2O2 — CID 66179237

IUPAC2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
SMILESCOC(CC(C)(CN)NC1CCCCCC1)OC
InChIInChI=1S/C14H30N2O2/c1-14(11-15,10-13(17-2)18-3)16-12-8-6-4-5-7-9-12/h12-13,16H,4-11,15H2,1-3H3
InChIKeyREKKYDWRYKYEDY-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.03
Rot. Bonds7

About 2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine

2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine (PubChem CID 66179237) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
PubChem CID66179237
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
SMILESCOC(CC(C)(CN)NC1CCCCCC1)OC
InChIInChI=1S/C14H30N2O2/c1-14(11-15,10-13(17-2)18-3)16-12-8-6-4-5-7-9-12/h12-13,16H,4-11,15H2,1-3H3
InChIKeyREKKYDWRYKYEDY-UHFFFAOYSA-N
XLogP2.03
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
CID 66179630
2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide
CID 66178852
2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867745
2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831506
N-(2,3-dimethylbutan-2-yl)cyclohexanamine
CID 89164056
N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine
CID 115906089
2-N-cyclopropyl-2-methylpentane-1,2-diamine
CID 62070858
2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide
CID 66165558
N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine
CID 82937345
4,4-dimethoxy-2-methyl-2-N-pent-3-ynylbutane-1,2-diamine
CID 116643309
ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868165
4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 66178631

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine (CID 66179237) is 2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine is COC(CC(C)(CN)NC1CCCCCC1)OC.
What is the InChIKey of 2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The InChIKey is REKKYDWRYKYEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-14(11-15,10-13(17-2)18-3)16-12-8-6-4-5-7-9-12/h12-13,16H,4-11,15H2,1-3H3.
What are the key properties of 2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine is sourced from PubChem (CID 66179237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).