N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine

C10H19NO — CID 163703648

IUPACN-methyl-3-propan-2-yloxycyclohex-3-en-1-amine
SMILESCNC1CCC=C(OC(C)C)C1
InChIInChI=1S/C10H19NO/c1-8(2)12-10-6-4-5-9(7-10)11-3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyKDEHCXCDRFIITI-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.07
Rot. Bonds3

About N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine

N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine (PubChem CID 163703648) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-propan-2-yloxycyclohex-3-en-1-amine
PubChem CID163703648
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-methyl-3-propan-2-yloxycyclohex-3-en-1-amine
SMILESCNC1CCC=C(OC(C)C)C1
InChIInChI=1S/C10H19NO/c1-8(2)12-10-6-4-5-9(7-10)11-3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyKDEHCXCDRFIITI-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]pyrrolidine
CID 106640398
N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine
CID 154531795
(E)-5-hexan-3-yloxy-N-methylhept-5-en-3-amine
CID 89088350
N-methyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89098985
(Z)-6-methoxy-N-propyloct-6-en-4-amine
CID 141995083
4-Ethoxycyclohex-3-en-1-amine
CID 142399307
6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine
CID 163805361
(E)-6-methoxy-N-methylnon-6-en-1-amine
CID 174273360
N-[2-(oxolan-2-yl)ethyl]cyclohex-3-en-1-amine
CID 65700478
N-cyclohex-3-en-1-yl-2-ethyloxan-4-amine
CID 65701654
N-cyclohex-3-en-1-yl-2-methyloxan-4-amine
CID 65702306
N-cyclohex-3-en-1-yl-2,6-dimethyloxan-4-amine
CID 81851628

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine?
The IUPAC name of N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine (CID 163703648) is N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine.
What is the SMILES notation for N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine?
The canonical SMILES for N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine is CNC1CCC=C(OC(C)C)C1.
What is the InChIKey of N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine?
The InChIKey is KDEHCXCDRFIITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)12-10-6-4-5-9(7-10)11-3/h6,8-9,11H,4-5,7H2,1-3H3.
What are the key properties of N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine?
N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine is sourced from PubChem (CID 163703648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).