N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine

C11H20ClNO — CID 103991296

IUPACN-(2-chloroprop-2-enyl)-2-propyloxan-4-amine
SMILESC=C(Cl)CNC1CCOC(CCC)C1
InChIInChI=1S/C11H20ClNO/c1-3-4-11-7-10(5-6-14-11)13-8-9(2)12/h10-11,13H,2-8H2,1H3
InChIKeyTXRXFSFPUTWUBN-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.68
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine

N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine (PubChem CID 103991296) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-propyloxan-4-amine
PubChem CID103991296
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-(2-chloroprop-2-enyl)-2-propyloxan-4-amine
SMILESC=C(Cl)CNC1CCOC(CCC)C1
InChIInChI=1S/C11H20ClNO/c1-3-4-11-7-10(5-6-14-11)13-8-9(2)12/h10-11,13H,2-8H2,1H3
InChIKeyTXRXFSFPUTWUBN-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-prop-2-enyl-2-propyloxan-4-amine
CID 64106303
2-ethyl-N-prop-2-enyloxan-4-amine
CID 64106499
2,6-dimethyl-N-prop-2-enyloxan-4-amine
CID 81850354
N-(2-chloroprop-2-enyl)-2,2-diethyloxan-4-amine
CID 83033513
N-(3-methylbut-2-enyl)-2-propyloxan-4-amine
CID 103522688
N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine
CID 103991148
N-but-3-en-2-yl-2-propyloxan-4-amine
CID 104005438
N-ethyl-1-(oxan-2-yl)but-3-en-2-amine
CID 104252035
N-ethyl-3-methyl-1-(oxan-2-yl)but-3-en-2-amine
CID 104252193
1-(oxan-2-yl)-N-propylbut-3-en-2-amine
CID 104252292
3-methyl-1-(oxan-2-yl)-N-propylbut-3-en-2-amine
CID 104252428
N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine
CID 104530566

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine (CID 103991296) is N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine is C=C(Cl)CNC1CCOC(CCC)C1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine?
The InChIKey is TXRXFSFPUTWUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-3-4-11-7-10(5-6-14-11)13-8-9(2)12/h10-11,13H,2-8H2,1H3.
What are the key properties of N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine?
N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine has a molecular weight of 217.74 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine is sourced from PubChem (CID 103991296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).