N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide

C26H58BrNSi — CID 175770448

IUPACN-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCN([SiH3])C(C)(C)CC(C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H57NSi.BrH/c1-10-11-12-13-14-15-16-17-18-19-20-27(28)25(8,9)21-26(22(2)3,23(4)5)24(6)7;/h22-24H,10-21H2,1-9,28H3;1H
InChIKeyFJMKXSAZJIPRKF-UHFFFAOYSA-N
MW492.75 g/mol
LogP8.19
Rot. Bonds17

About N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide

N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide (PubChem CID 175770448) has the molecular formula C26H58BrNSi and a molecular weight of 492.75 g/mol. Its IUPAC name is N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide.

Molecular Properties

Compound NameN-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide
PubChem CID175770448
Molecular FormulaC26H58BrNSi
Molecular Weight492.75 g/mol
Exact Mass491.35
IUPAC NameN-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCN([SiH3])C(C)(C)CC(C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H57NSi.BrH/c1-10-11-12-13-14-15-16-17-18-19-20-27(28)25(8,9)21-26(22(2)3,23(4)5)24(6)7;/h22-24H,10-21H2,1-9,28H3;1H
InChIKeyFJMKXSAZJIPRKF-UHFFFAOYSA-N
XLogP8.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.75
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide with MolForge

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Related Compounds

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CID 139915340
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CID 3790364
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
dodecan-1-amine;2,2,3-trimethylbutane
CID 143310414
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
1-N-decyl-1-N-methylpropane-1,2-diamine
CID 63758995
N,N-ditert-butylhexadecan-1-amine
CID 138920579
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide?
The IUPAC name of N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide (CID 175770448) is N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide.
What is the SMILES notation for N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide?
The canonical SMILES for N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide is Br.CCCCCCCCCCCCN([SiH3])C(C)(C)CC(C(C)C)(C(C)C)C(C)C.
What is the InChIKey of N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide?
The InChIKey is FJMKXSAZJIPRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57NSi.BrH/c1-10-11-12-13-14-15-16-17-18-19-20-27(28)25(8,9)21-26(22(2)3,23(4)5)24(6)7;/h22-24H,10-21H2,1-9,28H3;1H.
What are the key properties of N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide?
N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide has a molecular weight of 492.75 g/mol, XLogP of 8.19, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2,5-dimethyl-4,4-di(propan-2-yl)-N-silylhexan-2-amine;hydrobromide is sourced from PubChem (CID 175770448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).