4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine

C17H39N3O3Si — CID 23596606

IUPAC4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine
SMILESCO[Si](CCCNC1CCC(NCCNC(C)C)CC1)(OC)OC
InChIInChI=1S/C17H39N3O3Si/c1-15(2)18-12-13-20-17-9-7-16(8-10-17)19-11-6-14-24(21-3,22-4)23-5/h15-20H,6-14H2,1-5H3
InChIKeyMDAIRRKUSVRZCP-UHFFFAOYSA-N
MW361.60 g/mol
LogP1.74
Rot. Bonds13

About 4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine

4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine (PubChem CID 23596606) has the molecular formula C17H39N3O3Si and a molecular weight of 361.60 g/mol. Its IUPAC name is 4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine
PubChem CID23596606
Molecular FormulaC17H39N3O3Si
Molecular Weight361.60 g/mol
Exact Mass361.28
IUPAC Name4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine
SMILESCO[Si](CCCNC1CCC(NCCNC(C)C)CC1)(OC)OC
InChIInChI=1S/C17H39N3O3Si/c1-15(2)18-12-13-20-17-9-7-16(8-10-17)19-11-6-14-24(21-3,22-4)23-5/h15-20H,6-14H2,1-5H3
InChIKeyMDAIRRKUSVRZCP-UHFFFAOYSA-N
XLogP1.74
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.60
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine (CID 23596606) is 4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine is CO[Si](CCCNC1CCC(NCCNC(C)C)CC1)(OC)OC.
What is the InChIKey of 4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine?
The InChIKey is MDAIRRKUSVRZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3O3Si/c1-15(2)18-12-13-20-17-9-7-16(8-10-17)19-11-6-14-24(21-3,22-4)23-5/h15-20H,6-14H2,1-5H3.
What are the key properties of 4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine?
4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine has a molecular weight of 361.60 g/mol, XLogP of 1.74, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 23596606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).