cis-(1S,2R)-2-methoxycycloheptan-1-amine

C8H17NO — CID 30817490

IUPACcis-(1S,2R)-2-methoxycycloheptan-1-amine
SMILESCO[C@@H]1CCCCC[C@@H]1N
InChIInChI=1S/C8H17NO/c1-10-8-6-4-2-3-5-7(8)9/h7-8H,2-6,9H2,1H3/t7-,8+/m0/s1
InChIKeyVAPWMUWLKYOLFO-JGVFFNPUSA-N
MW143.23 g/mol
LogP1.29
Rot. Bonds1

About cis-(1S,2R)-2-methoxycycloheptan-1-amine

cis-(1S,2R)-2-methoxycycloheptan-1-amine (PubChem CID 30817490) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is cis-(1S,2R)-2-methoxycycloheptan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-methoxycycloheptan-1-amine
PubChem CID30817490
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namecis-(1S,2R)-2-methoxycycloheptan-1-amine
SMILESCO[C@@H]1CCCCC[C@@H]1N
InChIInChI=1S/C8H17NO/c1-10-8-6-4-2-3-5-7(8)9/h7-8H,2-6,9H2,1H3/t7-,8+/m0/s1
InChIKeyVAPWMUWLKYOLFO-JGVFFNPUSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-(1R,2R)-2-ethoxycycloheptan-1-amine
CID 30818327
2-Methoxycycloheptan-1-amine hydrochloride
CID 73994762
2-Methoxyheptan-1-amine
CID 54437910
2-Methoxycycloheptan-1-amine
CID 16788714
2-(2,2,2-Trifluoroethoxy)cycloheptan-1-amine
CID 16786717
2-(2,2,3,3-Tetrafluoropropoxy)cycloheptan-1-amine
CID 45283087
3-Cycloheptyloxy-4,4,4-trifluorobutan-2-amine
CID 61648276
2-Cycloheptyloxy-1,1,1-trifluoropentan-3-amine
CID 61648328
2-(1,1,1-Trifluoropropan-2-yloxy)cycloheptan-1-amine
CID 66274570
2-(2,2-Difluoroethoxy)cycloheptan-1-amine
CID 82004445
2-(4,4,4-Trifluorobutoxy)cycloheptan-1-amine
CID 82787722
2-(3,3,3-Trifluoropropoxy)cycloheptan-1-amine
CID 82953863

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methoxycycloheptan-1-amine?
The IUPAC name of cis-(1S,2R)-2-methoxycycloheptan-1-amine (CID 30817490) is cis-(1S,2R)-2-methoxycycloheptan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-methoxycycloheptan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-methoxycycloheptan-1-amine is CO[C@@H]1CCCCC[C@@H]1N.
What is the InChIKey of cis-(1S,2R)-2-methoxycycloheptan-1-amine?
The InChIKey is VAPWMUWLKYOLFO-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO/c1-10-8-6-4-2-3-5-7(8)9/h7-8H,2-6,9H2,1H3/t7-,8+/m0/s1.
What are the key properties of cis-(1S,2R)-2-methoxycycloheptan-1-amine?
cis-(1S,2R)-2-methoxycycloheptan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methoxycycloheptan-1-amine is sourced from PubChem (CID 30817490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).