N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine

C17H40N2OSi — CID 175179221

IUPACN'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine
SMILESCC(C)C(CCCCNCCCCCCN)(O[SiH3])C(C)C
InChIInChI=1S/C17H40N2OSi/c1-15(2)17(20-21,16(3)4)11-7-10-14-19-13-9-6-5-8-12-18/h15-16,19H,5-14,18H2,1-4,21H3
InChIKeySHFOYFWGFSLNNT-UHFFFAOYSA-N
MW316.61 g/mol
LogP2.61
Rot. Bonds14

About N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine

N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine (PubChem CID 175179221) has the molecular formula C17H40N2OSi and a molecular weight of 316.61 g/mol. Its IUPAC name is N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine
PubChem CID175179221
Molecular FormulaC17H40N2OSi
Molecular Weight316.61 g/mol
Exact Mass316.29
IUPAC NameN'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine
SMILESCC(C)C(CCCCNCCCCCCN)(O[SiH3])C(C)C
InChIInChI=1S/C17H40N2OSi/c1-15(2)17(20-21,16(3)4)11-7-10-14-19-13-9-6-5-8-12-18/h15-16,19H,5-14,18H2,1-4,21H3
InChIKeySHFOYFWGFSLNNT-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.61
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
[6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate
CID 175180105
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
CID 22016397
CID 22016397
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(2-aminoethyl)-N-[5-(propan-2-ylamino)pentyl]pentane-1,5-diamine;N'-[5-[5-(propan-2-ylamino)pentylamino]pentyl]pentane-1,5-diamine;N'-[5-(propan-2-ylamino)pentyl]pentane-1,5-diamine;N'-[3-(propan-2-ylamino)propyl]butane-1,4-diamine;N'-[3-(propan-2-ylamino)propyl]octane-1,8-diamine
CID 158904101
N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine
CID 162247771
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-butyloctadecane-1,18-diamine
CID 19427141

Frequently Asked Questions

What is the IUPAC name of N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine?
The IUPAC name of N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine (CID 175179221) is N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine?
The canonical SMILES for N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine is CC(C)C(CCCCNCCCCCCN)(O[SiH3])C(C)C.
What is the InChIKey of N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine?
The InChIKey is SHFOYFWGFSLNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40N2OSi/c1-15(2)17(20-21,16(3)4)11-7-10-14-19-13-9-6-5-8-12-18/h15-16,19H,5-14,18H2,1-4,21H3.
What are the key properties of N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine?
N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine has a molecular weight of 316.61 g/mol, XLogP of 2.61, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine is sourced from PubChem (CID 175179221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).