N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine

C16H32N2O — CID 79929044

IUPACN,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine
SMILESCNC1C(CN(C)CC2CC2C)C(C)(C)OC1(C)C
InChIInChI=1S/C16H32N2O/c1-11-8-12(11)9-18(7)10-13-14(17-6)16(4,5)19-15(13,2)3/h11-14,17H,8-10H2,1-7H3
InChIKeyLJYASPXLNHZUTQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.37
Rot. Bonds5

About N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine

N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine (PubChem CID 79929044) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine
PubChem CID79929044
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine
SMILESCNC1C(CN(C)CC2CC2C)C(C)(C)OC1(C)C
InChIInChI=1S/C16H32N2O/c1-11-8-12(11)9-18(7)10-13-14(17-6)16(4,5)19-15(13,2)3/h11-14,17H,8-10H2,1-7H3
InChIKeyLJYASPXLNHZUTQ-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine?
The IUPAC name of N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine (CID 79929044) is N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine.
What is the SMILES notation for N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine?
The canonical SMILES for N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine is CNC1C(CN(C)CC2CC2C)C(C)(C)OC1(C)C.
What is the InChIKey of N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine?
The InChIKey is LJYASPXLNHZUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-11-8-12(11)9-18(7)10-13-14(17-6)16(4,5)19-15(13,2)3/h11-14,17H,8-10H2,1-7H3.
What are the key properties of N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine?
N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine has a molecular weight of 268.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine is sourced from PubChem (CID 79929044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).