(1-butan-2-yloxycycloheptyl)methanamine

C12H25NO — CID 62108575

IUPAC(1-butan-2-yloxycycloheptyl)methanamine
SMILESCCC(C)OC1(CN)CCCCCC1
InChIInChI=1S/C12H25NO/c1-3-11(2)14-12(10-13)8-6-4-5-7-9-12/h11H,3-10,13H2,1-2H3
InChIKeyUSVBFIGSGDPBLL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.85
Rot. Bonds4

About (1-butan-2-yloxycycloheptyl)methanamine

(1-butan-2-yloxycycloheptyl)methanamine (PubChem CID 62108575) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (1-butan-2-yloxycycloheptyl)methanamine.

Molecular Properties

Compound Name(1-butan-2-yloxycycloheptyl)methanamine
PubChem CID62108575
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(1-butan-2-yloxycycloheptyl)methanamine
SMILESCCC(C)OC1(CN)CCCCCC1
InChIInChI=1S/C12H25NO/c1-3-11(2)14-12(10-13)8-6-4-5-7-9-12/h11H,3-10,13H2,1-2H3
InChIKeyUSVBFIGSGDPBLL-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-butan-2-yloxycycloheptyl)methanamine?
The IUPAC name of (1-butan-2-yloxycycloheptyl)methanamine (CID 62108575) is (1-butan-2-yloxycycloheptyl)methanamine.
What is the SMILES notation for (1-butan-2-yloxycycloheptyl)methanamine?
The canonical SMILES for (1-butan-2-yloxycycloheptyl)methanamine is CCC(C)OC1(CN)CCCCCC1.
What is the InChIKey of (1-butan-2-yloxycycloheptyl)methanamine?
The InChIKey is USVBFIGSGDPBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-11(2)14-12(10-13)8-6-4-5-7-9-12/h11H,3-10,13H2,1-2H3.
What are the key properties of (1-butan-2-yloxycycloheptyl)methanamine?
(1-butan-2-yloxycycloheptyl)methanamine has a molecular weight of 199.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-yloxycycloheptyl)methanamine is sourced from PubChem (CID 62108575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).