1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

C14H21ClN2 — CID 113464841

IUPAC1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESC=C(Cl)Cn1c(C)cc2c1CC(C)(C)CC2N
InChIInChI=1S/C14H21ClN2/c1-9(15)8-17-10(2)5-11-12(16)6-14(3,4)7-13(11)17/h5,12H,1,6-8,16H2,2-4H3
InChIKeyKCRSQGWOGLSNNX-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.52
Rot. Bonds2

About 1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 113464841) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID113464841
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESC=C(Cl)Cn1c(C)cc2c1CC(C)(C)CC2N
InChIInChI=1S/C14H21ClN2/c1-9(15)8-17-10(2)5-11-12(16)6-14(3,4)7-13(11)17/h5,12H,1,6-8,16H2,2-4H3
InChIKeyKCRSQGWOGLSNNX-UHFFFAOYSA-N
XLogP3.52
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (CID 113464841) is 1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is C=C(Cl)Cn1c(C)cc2c1CC(C)(C)CC2N.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is KCRSQGWOGLSNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-9(15)8-17-10(2)5-11-12(16)6-14(3,4)7-13(11)17/h5,12H,1,6-8,16H2,2-4H3.
What are the key properties of 1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 252.79 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 113464841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).