N-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine

C13H25NO — CID 115895710

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCC1(C2CC2)CC1)C(C)C
InChIInChI=1S/C13H25NO/c1-10(2)12(8-15-3)14-9-13(6-7-13)11-4-5-11/h10-12,14H,4-9H2,1-3H3
InChIKeyCMKLDLCQWSPIKB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds7

About N-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine

N-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine (PubChem CID 115895710) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine
PubChem CID115895710
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCC1(C2CC2)CC1)C(C)C
InChIInChI=1S/C13H25NO/c1-10(2)12(8-15-3)14-9-13(6-7-13)11-4-5-11/h10-12,14H,4-9H2,1-3H3
InChIKeyCMKLDLCQWSPIKB-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine (CID 115895710) is N-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine is COCC(NCC1(C2CC2)CC1)C(C)C.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine?
The InChIKey is CMKLDLCQWSPIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)12(8-15-3)14-9-13(6-7-13)11-4-5-11/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 115895710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).