7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine

C16H38N2O4Si — CID 175350299

IUPAC7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine
SMILESCCCNC(CC[Si](OC)(OC)OC)OCCCCCCCN
InChIInChI=1S/C16H38N2O4Si/c1-5-13-18-16(11-15-23(19-2,20-3)21-4)22-14-10-8-6-7-9-12-17/h16,18H,5-15,17H2,1-4H3
InChIKeyHNBWUXNHSSRVCL-UHFFFAOYSA-N
MW350.58 g/mol
LogP2.51
Rot. Bonds17

About 7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine

7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine (PubChem CID 175350299) has the molecular formula C16H38N2O4Si and a molecular weight of 350.58 g/mol. Its IUPAC name is 7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine.

Molecular Properties

Compound Name7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine
PubChem CID175350299
Molecular FormulaC16H38N2O4Si
Molecular Weight350.58 g/mol
Exact Mass350.26
IUPAC Name7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine
SMILESCCCNC(CC[Si](OC)(OC)OC)OCCCCCCCN
InChIInChI=1S/C16H38N2O4Si/c1-5-13-18-16(11-15-23(19-2,20-3)21-4)22-14-10-8-6-7-9-12-17/h16,18H,5-15,17H2,1-4H3
InChIKeyHNBWUXNHSSRVCL-UHFFFAOYSA-N
XLogP2.51
TPSA74.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-tridecoxypropyl)propane-1,3-diamine
CID 22412585
1-decoxy-N-propylpropan-1-amine
CID 173331192
N-butyl-1-pentoxydecan-1-amine
CID 172707813
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
N-butyl-1-pentoxybutan-1-amine
CID 88850312
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
1-[3-aminopropyl(dimethoxy)silyl]oxy-N-ethylpropan-1-amine
CID 152741932
bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
CID 161482517
1-decoxy-N-ethylundecan-1-amine
CID 172700916
1-chlorodecane;3-trimethoxysilylpropan-1-amine
CID 18362097

Frequently Asked Questions

What is the IUPAC name of 7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine?
The IUPAC name of 7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine (CID 175350299) is 7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine.
What is the SMILES notation for 7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine?
The canonical SMILES for 7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine is CCCNC(CC[Si](OC)(OC)OC)OCCCCCCCN.
What is the InChIKey of 7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine?
The InChIKey is HNBWUXNHSSRVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N2O4Si/c1-5-13-18-16(11-15-23(19-2,20-3)21-4)22-14-10-8-6-7-9-12-17/h16,18H,5-15,17H2,1-4H3.
What are the key properties of 7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine?
7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine has a molecular weight of 350.58 g/mol, XLogP of 2.51, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine is sourced from PubChem (CID 175350299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).