N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine

C19H41NSi — CID 106323491

IUPACN-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(C[Si](C)(C)C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H41NSi/c1-17(2,3)16-10-12-19(13-11-16,15-21(7,8)9)14-20-18(4,5)6/h16,20H,10-15H2,1-9H3
InChIKeyCXVHTJKZTRAWRK-UHFFFAOYSA-N
MW311.63 g/mol
LogP5.94
Rot. Bonds4

About N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 106323491) has the molecular formula C19H41NSi and a molecular weight of 311.63 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID106323491
Molecular FormulaC19H41NSi
Molecular Weight311.63 g/mol
Exact Mass311.30
IUPAC NameN-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(C[Si](C)(C)C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H41NSi/c1-17(2,3)16-10-12-19(13-11-16,15-21(7,8)9)14-20-18(4,5)6/h16,20H,10-15H2,1-9H3
InChIKeyCXVHTJKZTRAWRK-UHFFFAOYSA-N
XLogP5.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.63
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[1-(trimethylsilylmethyl)cyclopropyl]methyl]propan-2-amine
CID 106323698
[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl-trimethylsilane
CID 106324159
[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methanamine
CID 106323361
N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine
CID 63473883
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63474782
N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82005818
2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 62905055
N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
CID 55197381
N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine
CID 82932929
1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine
CID 63509791
N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 62108177
N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine
CID 113361862

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 106323491) is N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(C[Si](C)(C)C)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is CXVHTJKZTRAWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NSi/c1-17(2,3)16-10-12-19(13-11-16,15-21(7,8)9)14-20-18(4,5)6/h16,20H,10-15H2,1-9H3.
What are the key properties of N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 311.63 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106323491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).