1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine

C8H21Cl2N3Si — CID 150856445

IUPAC1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine
SMILESNCCNCC(N)CCC[SiH2]C(Cl)Cl
InChIInChI=1S/C8H21Cl2N3Si/c9-8(10)14-5-1-2-7(12)6-13-4-3-11/h7-8,13H,1-6,11-12,14H2
InChIKeyKRCLALMRHCJUCL-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.01
Rot. Bonds9

About 1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine

1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine (PubChem CID 150856445) has the molecular formula C8H21Cl2N3Si and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine
PubChem CID150856445
Molecular FormulaC8H21Cl2N3Si
Molecular Weight258.27 g/mol
Exact Mass257.09
IUPAC Name1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine
SMILESNCCNCC(N)CCC[SiH2]C(Cl)Cl
InChIInChI=1S/C8H21Cl2N3Si/c9-8(10)14-5-1-2-7(12)6-13-4-3-11/h7-8,13H,1-6,11-12,14H2
InChIKeyKRCLALMRHCJUCL-UHFFFAOYSA-N
XLogP-0.01
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-N-(2-iodoethyl)pentane-1,2,5-triamine
CID 130381439
5-N-(2-aminohexyl)pentane-1,2,5-triamine
CID 88775596
(2S)-1-N-propyldecane-1,2-diamine
CID 135223941
1-N-(7-methyloctyl)pentane-1,2-diamine
CID 107815807
[[N'-[4-amino-5-(2-aminoethylamino)pentyl]carbamimidoyl]amino]-hydroxy-oxoazanium
CID 6334562
3-[3-amino-4-(2-aminoethylamino)butoxy]propane-1,2-diol
CID 19438525
2-(2-aminohexylamino)ethanol
CID 83960481
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
dichloromethyl(dodecyl)silane
CID 154088389
dichloromethyl(tetradecyl)silane
CID 57351248
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
1-N-(2-aminopentyl)pentane-1,2-diamine
CID 139611076

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine?
The IUPAC name of 1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine (CID 150856445) is 1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine is NCCNCC(N)CCC[SiH2]C(Cl)Cl.
What is the InChIKey of 1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine?
The InChIKey is KRCLALMRHCJUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21Cl2N3Si/c9-8(10)14-5-1-2-7(12)6-13-4-3-11/h7-8,13H,1-6,11-12,14H2.
What are the key properties of 1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine?
1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine has a molecular weight of 258.27 g/mol, XLogP of -0.01, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminoethyl)-5-(dichloromethylsilyl)pentane-1,2-diamine is sourced from PubChem (CID 150856445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).