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

C19H37NO — CID 63474782

IUPACN-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(OCC2CC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H37NO/c1-17(2,3)16-9-11-19(12-10-16,14-20-18(4,5)6)21-13-15-7-8-15/h15-16,20H,7-14H2,1-6H3
InChIKeyALRLWJCYUISLQY-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.78
Rot. Bonds5

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

N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 63474782) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID63474782
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(OCC2CC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H37NO/c1-17(2,3)16-9-11-19(12-10-16,14-20-18(4,5)6)21-13-15-7-8-15/h15-16,20H,7-14H2,1-6H3
InChIKeyALRLWJCYUISLQY-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 63474782) is N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(OCC2CC2)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ALRLWJCYUISLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-17(2,3)16-9-11-19(12-10-16,14-20-18(4,5)6)21-13-15-7-8-15/h15-16,20H,7-14H2,1-6H3.
What are the key properties of N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63474782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).