(1-methoxycycloheptyl)methanamine

C9H19NO — CID 15495974

IUPAC(1-methoxycycloheptyl)methanamine
SMILESCOC1(CN)CCCCCC1
InChIInChI=1S/C9H19NO/c1-11-9(8-10)6-4-2-3-5-7-9/h2-8,10H2,1H3
InChIKeyNCHRTQDYCCCDDN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.68
Rot. Bonds2

About (1-methoxycycloheptyl)methanamine

(1-methoxycycloheptyl)methanamine (PubChem CID 15495974) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (1-methoxycycloheptyl)methanamine.

Molecular Properties

Compound Name(1-methoxycycloheptyl)methanamine
PubChem CID15495974
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(1-methoxycycloheptyl)methanamine
SMILESCOC1(CN)CCCCCC1
InChIInChI=1S/C9H19NO/c1-11-9(8-10)6-4-2-3-5-7-9/h2-8,10H2,1H3
InChIKeyNCHRTQDYCCCDDN-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)methanamine?
The IUPAC name of (1-methoxycycloheptyl)methanamine (CID 15495974) is (1-methoxycycloheptyl)methanamine.
What is the SMILES notation for (1-methoxycycloheptyl)methanamine?
The canonical SMILES for (1-methoxycycloheptyl)methanamine is COC1(CN)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)methanamine?
The InChIKey is NCHRTQDYCCCDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-11-9(8-10)6-4-2-3-5-7-9/h2-8,10H2,1H3.
What are the key properties of (1-methoxycycloheptyl)methanamine?
(1-methoxycycloheptyl)methanamine has a molecular weight of 157.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)methanamine is sourced from PubChem (CID 15495974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).