N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine

C16H31NO — CID 113420879

IUPACN-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)C1(CNC(C)(C)C)CCOC1C1CC1
InChIInChI=1S/C16H31NO/c1-6-12(2)16(11-17-15(3,4)5)9-10-18-14(16)13-7-8-13/h12-14,17H,6-11H2,1-5H3
InChIKeyRKEHRLWQZKUODG-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.61
Rot. Bonds5

About N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine

N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine (PubChem CID 113420879) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine
PubChem CID113420879
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)C1(CNC(C)(C)C)CCOC1C1CC1
InChIInChI=1S/C16H31NO/c1-6-12(2)16(11-17-15(3,4)5)9-10-18-14(16)13-7-8-13/h12-14,17H,6-11H2,1-5H3
InChIKeyRKEHRLWQZKUODG-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclopropyl-3-propan-2-yloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 104510040
3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane
CID 104510655
1-(2-cyclopropyl-3-pentan-2-yloxolan-3-yl)-N-methylmethanamine
CID 107897605
N-[(2-cyclopropyl-3-pentan-2-yloxolan-3-yl)methyl]ethanamine
CID 114013911
N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104510031
N-[(2-cyclopropyl-3-propyloxolan-3-yl)methyl]propan-2-amine
CID 104509924
N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 107053590
2-cyclopropyl-N-ethyl-3-methyloxolan-3-amine
CID 131155789
1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine
CID 104509569
2-methyl-N-[[2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 114535029
N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine
CID 104509877
N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 104510154

Frequently Asked Questions

What is the IUPAC name of N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine (CID 113420879) is N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine is CCC(C)C1(CNC(C)(C)C)CCOC1C1CC1.
What is the InChIKey of N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is RKEHRLWQZKUODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-12(2)16(11-17-15(3,4)5)9-10-18-14(16)13-7-8-13/h12-14,17H,6-11H2,1-5H3.
What are the key properties of N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine?
N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 113420879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).